N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

C15H22N2O3S — CID 95216392

IUPACN-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1ccc([C@H]2CCCN2C(=O)[C@@H](C)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-11-6-8-13(9-7-11)14-5-4-10-17(14)15(18)12(2)16-21(3,19)20/h6-9,12,14,16H,4-5,10H2,1-3H3/t12-,14-/m1/s1
InChIKeyLVPWPHZFAWNDKQ-TZMCWYRMSA-N
MW310.42 g/mol
LogP1.60
Rot. Bonds4

About N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 95216392) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID95216392
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESCc1ccc([C@H]2CCCN2C(=O)[C@@H](C)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-11-6-8-13(9-7-11)14-5-4-10-17(14)15(18)12(2)16-21(3,19)20/h6-9,12,14,16H,4-5,10H2,1-3H3/t12-,14-/m1/s1
InChIKeyLVPWPHZFAWNDKQ-TZMCWYRMSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]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

3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
3-amino-2-methyl-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120500863
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 51254391
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[1-[(2S)-2-(methanesulfonamido)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 58490729
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(methylamino)propan-1-one
CID 62638779
1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 95216392) is N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is Cc1ccc([C@H]2CCCN2C(=O)[C@@H](C)NS(C)(=O)=O)cc1.
What is the InChIKey of N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is LVPWPHZFAWNDKQ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-6-8-13(9-7-11)14-5-4-10-17(14)15(18)12(2)16-21(3,19)20/h6-9,12,14,16H,4-5,10H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 95216392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).