4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide

C15H24N2O2S2 — CID 97113685

IUPAC4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
SMILESCCS[C@@H]1CC[C@H](N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O2S2/c1-3-20-14-7-6-13(10-14)17-11(2)12-4-8-15(9-5-12)21(16,18)19/h4-5,8-9,11,13-14,17H,3,6-7,10H2,1-2H3,(H2,16,18,19)/t11-,13-,14+/m0/s1
InChIKeyOSDZAUNXMHVQCK-FPMFFAJLSA-N
MW328.50 g/mol
LogP2.66
Rot. Bonds6

About 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide

4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide (PubChem CID 97113685) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
PubChem CID97113685
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
SMILESCCS[C@@H]1CC[C@H](N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O2S2/c1-3-20-14-7-6-13(10-14)17-11(2)12-4-8-15(9-5-12)21(16,18)19/h4-5,8-9,11,13-14,17H,3,6-7,10H2,1-2H3,(H2,16,18,19)/t11-,13-,14+/m0/s1
InChIKeyOSDZAUNXMHVQCK-FPMFFAJLSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 43681869
N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 103734615
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711361
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide (CID 97113685) is 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide is CCS[C@@H]1CC[C@H](N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide?
The InChIKey is OSDZAUNXMHVQCK-FPMFFAJLSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-20-14-7-6-13(10-14)17-11(2)12-4-8-15(9-5-12)21(16,18)19/h4-5,8-9,11,13-14,17H,3,6-7,10H2,1-2H3,(H2,16,18,19)/t11-,13-,14+/m0/s1.
What are the key properties of 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide?
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97113685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).