N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C15H22N2O3S — CID 1081280

IUPACN-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C15H22N2O3S/c1-11-5-4-6-14(12(11)2)16-15(18)13-7-9-17(10-8-13)21(3,19)20/h4-6,13H,7-10H2,1-3H3,(H,16,18)
InChIKeyHXSJXVHXFUEUKR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.91
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 1081280) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID1081280
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C15H22N2O3S/c1-11-5-4-6-14(12(11)2)16-15(18)13-7-9-17(10-8-13)21(3,19)20/h4-6,13H,7-10H2,1-3H3,(H,16,18)
InChIKeyHXSJXVHXFUEUKR-UHFFFAOYSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 1081280) is N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is HXSJXVHXFUEUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-5-4-6-14(12(11)2)16-15(18)13-7-9-17(10-8-13)21(3,19)20/h4-6,13H,7-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1081280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).