4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

C15H22N2O3S — CID 110749471

IUPAC4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC(C)(C)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-4-6-13(7-5-12)21(19,20)16-14(18)17-10-8-15(2,3)9-11-17/h4-7H,8-11H2,1-3H3,(H,16,18)
InChIKeyPLOVEINTUPYYAF-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.52
Rot. Bonds2

About 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 110749471) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
PubChem CID110749471
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC(C)(C)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-4-6-13(7-5-12)21(19,20)16-14(18)17-10-8-15(2,3)9-11-17/h4-7H,8-11H2,1-3H3,(H,16,18)
InChIKeyPLOVEINTUPYYAF-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110396656
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
CID 175378510
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 25047509
N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 17149179
N-(4-methylphenyl)sulfonyl-4-(5-methyl-1H-pyrazole-3-carbonyl)piperazine-1-carboxamide
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2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (CID 110749471) is 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCC(C)(C)CC2)cc1.
What is the InChIKey of 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is PLOVEINTUPYYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-4-6-13(7-5-12)21(19,20)16-14(18)17-10-8-15(2,3)9-11-17/h4-7H,8-11H2,1-3H3,(H,16,18).
What are the key properties of 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 110749471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).