(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide

C15H22N2O3S — CID 97308397

IUPAC(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
SMILESCc1cccc(CN2CCCC[C@H]2C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-12-6-5-7-13(10-12)11-17-9-4-3-8-14(17)15(18)16-21(2,19)20/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeyGLSWBAXCFPXDRJ-AWEZNQCLSA-N
MW310.42 g/mol
LogP1.43
Rot. Bonds4

About (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide

(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide (PubChem CID 97308397) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
PubChem CID97308397
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
SMILESCc1cccc(CN2CCCC[C@H]2C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O3S/c1-12-6-5-7-13(10-12)11-17-9-4-3-8-14(17)15(18)16-21(2,19)20/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeyGLSWBAXCFPXDRJ-AWEZNQCLSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
1-[(3-methylphenyl)methyl]-N-(2-piperidin-1-ylsulfonylethyl)pyrrolidine-2-carboxamide
CID 110427724
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
N-(5-acetyl-2-methylphenyl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110425580
methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate
CID 167885152
N-(1,1-dioxothiolan-3-yl)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110411792
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 131905339
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
CID 97249158
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110627319
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110621179

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide (CID 97308397) is (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide is Cc1cccc(CN2CCCC[C@H]2C(=O)NS(C)(=O)=O)c1.
What is the InChIKey of (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is GLSWBAXCFPXDRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-6-5-7-13(10-12)11-17-9-4-3-8-14(17)15(18)16-21(2,19)20/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,16,18)/t14-/m0/s1.
What are the key properties of (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide?
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 97308397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).