1-methylsulfonyl-N-phenylpiperidine-3-carboxamide

C13H18N2O3S — CID 2972285

IUPAC1-methylsulfonyl-N-phenylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,14,16)
InChIKeyZVHJRPJGGOZRAT-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.30
Rot. Bonds3

About 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide

1-methylsulfonyl-N-phenylpiperidine-3-carboxamide (PubChem CID 2972285) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-phenylpiperidine-3-carboxamide
PubChem CID2972285
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-methylsulfonyl-N-phenylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,14,16)
InChIKeyZVHJRPJGGOZRAT-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide (CID 2972285) is 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide?
The InChIKey is ZVHJRPJGGOZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-19(17,18)15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,14,16).
What are the key properties of 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide?
1-methylsulfonyl-N-phenylpiperidine-3-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 2972285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).