N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide

C21H28N2O2S — CID 141081664

IUPACN-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2O2S/c1-26(24,25)22-21(20-10-6-3-7-11-20)14-17-23-15-12-19(13-16-23)18-8-4-2-5-9-18/h2-11,19,21-22H,12-17H2,1H3/t21-/m0/s1
InChIKeyAFANMVOVQLDESS-NRFANRHFSA-N
MW372.53 g/mol
LogP3.55
Rot. Bonds7

About N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide

N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide (PubChem CID 141081664) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
PubChem CID141081664
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H28N2O2S/c1-26(24,25)22-21(20-10-6-3-7-11-20)14-17-23-15-12-19(13-16-23)18-8-4-2-5-9-18/h2-11,19,21-22H,12-17H2,1H3/t21-/m0/s1
InChIKeyAFANMVOVQLDESS-NRFANRHFSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide 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-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
N-[3-[1-[3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049081
N-[3-[1-[(3S)-3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 58651294
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
N-[3-(3,4-dimethylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978974
N-[1-[4-ethyl-5-(4-phenylpiperidin-1-yl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
CID 154833723
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
N-[3-(4-fluorophenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978969
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
CID 66372167
N-[3-(3-fluoro-4-methylphenyl)-5-(4-phenylpiperidin-1-yl)pentyl]benzenesulfonamide
CID 20978976

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide (CID 141081664) is N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)N[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide?
The InChIKey is AFANMVOVQLDESS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-26(24,25)22-21(20-10-6-3-7-11-20)14-17-23-15-12-19(13-16-23)18-8-4-2-5-9-18/h2-11,19,21-22H,12-17H2,1H3/t21-/m0/s1.
What are the key properties of N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide?
N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 141081664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).