N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide

C19H27N3O2S — CID 97455512

IUPACN-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
SMILESCSCC1CCN(C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)CC1
InChIInChI=1S/C19H27N3O2S/c1-14-6-7-18(23)22(14)17-5-3-4-16(12-17)20-19(24)21-10-8-15(9-11-21)13-25-2/h3-5,12,14-15H,6-11,13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyYUWVHCVIGLSRMM-AWEZNQCLSA-N
MW361.51 g/mol
LogP3.81
Rot. Bonds4

About N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide

N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide (PubChem CID 97455512) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
PubChem CID97455512
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
SMILESCSCC1CCN(C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)CC1
InChIInChI=1S/C19H27N3O2S/c1-14-6-7-18(23)22(14)17-5-3-4-16(12-17)20-19(24)21-10-8-15(9-11-21)13-25-2/h3-5,12,14-15H,6-11,13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyYUWVHCVIGLSRMM-AWEZNQCLSA-N
XLogP3.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide 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-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438215
2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-pyrrol-1-ylpropanamide
CID 131914007
N-(3-cyano-4-methylphenyl)-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 72853430
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
CID 131950301
4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 72841938
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide
CID 131933787
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
1-[3-(1H-imidazol-2-yl)propyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72838318
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide (CID 97455512) is N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide is CSCC1CCN(C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)CC1.
What is the InChIKey of N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide?
The InChIKey is YUWVHCVIGLSRMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14-6-7-18(23)22(14)17-5-3-4-16(12-17)20-19(24)21-10-8-15(9-11-21)13-25-2/h3-5,12,14-15H,6-11,13H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide?
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97455512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).