2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide

C14H22N2O2S — CID 104982520

IUPAC2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide
SMILESCC(CS(=O)(=O)N[C@H]1CCCNC1)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(13-6-3-2-4-7-13)11-19(17,18)16-14-8-5-9-15-10-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3/t12?,14-/m0/s1
InChIKeyXRGJXNROPXMPLA-PYMCNQPYSA-N
MW282.41 g/mol
LogP1.46
Rot. Bonds5

About 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide

2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide (PubChem CID 104982520) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide
PubChem CID104982520
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide
SMILESCC(CS(=O)(=O)N[C@H]1CCCNC1)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(13-6-3-2-4-7-13)11-19(17,18)16-14-8-5-9-15-10-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3/t12?,14-/m0/s1
InChIKeyXRGJXNROPXMPLA-PYMCNQPYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide 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

N-(5-methylpiperidin-3-yl)-2-phenylpropane-1-sulfonamide
CID 107585332
N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide
CID 80685896
2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 80686709
N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119964620
N-(2-phenylpropyl)piperidine-3-sulfonamide
CID 104591796
N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
CID 80686401
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
N-[(3S)-piperidin-3-yl]naphthalene-1-sulfonamide
CID 104982537
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide?
The IUPAC name of 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide (CID 104982520) is 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide.
What is the SMILES notation for 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide?
The canonical SMILES for 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide is CC(CS(=O)(=O)N[C@H]1CCCNC1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide?
The InChIKey is XRGJXNROPXMPLA-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(13-6-3-2-4-7-13)11-19(17,18)16-14-8-5-9-15-10-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3/t12?,14-/m0/s1.
What are the key properties of 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide?
2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide is sourced from PubChem (CID 104982520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).