N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

C16H24N2O3S — CID 46265543

IUPACN,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCc1cccc(CS(=O)(=O)N2CCC(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H24N2O3S/c1-13-5-4-6-14(11-13)12-22(20,21)18-9-7-15(8-10-18)16(19)17(2)3/h4-6,11,15H,7-10,12H2,1-3H3
InChIKeyNKUJDWKJNCWHNC-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.63
Rot. Bonds4

About N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 46265543) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID46265543
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCc1cccc(CS(=O)(=O)N2CCC(C(=O)N(C)C)CC2)c1
InChIInChI=1S/C16H24N2O3S/c1-13-5-4-6-14(11-13)12-22(20,21)18-9-7-15(8-10-18)16(19)17(2)3/h4-6,11,15H,7-10,12H2,1-3H3
InChIKeyNKUJDWKJNCWHNC-UHFFFAOYSA-N
XLogP1.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
2,3-dihydroindol-1-yl-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 38006990
cyclopropyl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110797103
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
1-[(3-methylphenyl)methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 99952977
N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92680220
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28565359
methyl 3-[[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 43909281
1-[(3-methylphenyl)methylsulfonyl]-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]piperidine-4-carboxamide
CID 95880409
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 99949522
N-(3-methyl-1-phenylbutyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46772832

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 46265543) is N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N(C)C)CC2)c1.
What is the InChIKey of N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is NKUJDWKJNCWHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-5-4-6-14(11-13)12-22(20,21)18-9-7-15(8-10-18)16(19)17(2)3/h4-6,11,15H,7-10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46265543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).