1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide

C14H18N2O4S — CID 146083778

IUPAC1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)C2CCN(C)C(=O)C2)c1
InChIInChI=1S/C14H18N2O4S/c1-10-4-3-5-12(8-10)21(19,20)15-14(18)11-6-7-16(2)13(17)9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyPDVFAOPBSPBRDO-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.67
Rot. Bonds3

About 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide

1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide (PubChem CID 146083778) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide
PubChem CID146083778
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)C2CCN(C)C(=O)C2)c1
InChIInChI=1S/C14H18N2O4S/c1-10-4-3-5-12(8-10)21(19,20)15-14(18)11-6-7-16(2)13(17)9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyPDVFAOPBSPBRDO-UHFFFAOYSA-N
XLogP0.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenyl)sulfonylurea
CID 46224904
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 112830458
methyl 1-(3-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47320003
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide
CID 47130286
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
N'-(3-methylphenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide
CID 55428677

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide (CID 146083778) is 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide is Cc1cccc(S(=O)(=O)NC(=O)C2CCN(C)C(=O)C2)c1.
What is the InChIKey of 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide?
The InChIKey is PDVFAOPBSPBRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10-4-3-5-12(8-10)21(19,20)15-14(18)11-6-7-16(2)13(17)9-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide?
1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylphenyl)sulfonyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 146083778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).