N-benzyltetrahydrothiophen-3-amine 1,1-dioxide
TL;DR: N-benzyltetrahydrothiophen-3-amine 1,1-dioxide (CAS 321580-44-3) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1,1-dioxothiolan-3-amine
Also Known As: N-benzyltetrahydrothiophen-3-amine 1,1-dioxide, BENZYL- -AMINE, N-benzyl-1,1-dioxothiolan-3-amine, 3-(Benzylamino)tetrahydrothiophene 1,1-dioxide, 3-(benzylamino)-1lambda6-thiolane-1,1-dione
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 0.9633 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 413.47388 |
Chemical Identifiers
| CAS Number | 321580-44-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NCC2=CC=CC=C2 |
Product Overview
N-benzyltetrahydrothiophen-3-amine 1,1-dioxide (CAS 321580-44-3), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: N-benzyl-1,1-dioxothiolan-3-amine.
Chemical Property Profile of N-benzyltetrahydrothiophen-3-amine 1,1-dioxide
Property Insights of N-benzyltetrahydrothiophen-3-amine 1,1-dioxide
The XLogP value of 0.9633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyltetrahydrothiophen-3-amine 1,1-dioxide. With a topological polar surface area (TPSA) of 46.17 Ų, N-benzyltetrahydrothiophen-3-amine 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyltetrahydrothiophen-3-amine 1,1-dioxide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyltetrahydrothiophen-3-amine 1,1-dioxide?
The CAS number of N-benzyltetrahydrothiophen-3-amine 1,1-dioxide is 321580-44-3.
What is the molecular formula of N-benzyltetrahydrothiophen-3-amine 1,1-dioxide?
The molecular formula of N-benzyltetrahydrothiophen-3-amine 1,1-dioxide is C11H15NO2S.
What is the molecular weight of N-benzyltetrahydrothiophen-3-amine 1,1-dioxide?
The molecular weight of N-benzyltetrahydrothiophen-3-amine 1,1-dioxide is 225.08 g/mol.
Where can I buy N-benzyltetrahydrothiophen-3-amine 1,1-dioxide?
You can request a quote for N-benzyltetrahydrothiophen-3-amine 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyltetrahydrothiophen-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyltetrahydrothiophen-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.