2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide

C14H22N2O2S — CID 80686709

IUPAC2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCC1CCCN1)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(13-6-3-2-4-7-13)11-19(17,18)16-10-14-8-5-9-15-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3
InChIKeyHHDVFEANOYBKQQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.46
Rot. Bonds6

About 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide

2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide (PubChem CID 80686709) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
PubChem CID80686709
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
SMILESCC(CS(=O)(=O)NCC1CCCN1)c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(13-6-3-2-4-7-13)11-19(17,18)16-10-14-8-5-9-15-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3
InChIKeyHHDVFEANOYBKQQ-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(pyrrolidin-2-ylmethyl)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

2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
N-[(3-bromocyclohexyl)methyl]-2-phenylpropane-1-sulfonamide
CID 106135853
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008
2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide
CID 104982520
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
(4aS,7aS)-6-(2-phenylpropylsulfonyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681105
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
CID 107862197
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide (CID 80686709) is 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide is CC(CS(=O)(=O)NCC1CCCN1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is HHDVFEANOYBKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(13-6-3-2-4-7-13)11-19(17,18)16-10-14-8-5-9-15-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3.
What are the key properties of 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide?
2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 80686709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).