1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C13H18N2O3S — CID 557681

IUPAC1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-10-2-4-12(5-3-10)19(17,18)15-8-6-11(7-9-15)13(14)16/h2-5,11H,6-9H2,1H3,(H2,14,16)
InChIKeyMKLKAEFDIVQLTD-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.88
Rot. Bonds3

About 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 557681) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID557681
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-10-2-4-12(5-3-10)19(17,18)15-8-6-11(7-9-15)13(14)16/h2-5,11H,6-9H2,1H3,(H2,14,16)
InChIKeyMKLKAEFDIVQLTD-UHFFFAOYSA-N
XLogP0.88
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 557681) is 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MKLKAEFDIVQLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-2-4-12(5-3-10)19(17,18)15-8-6-11(7-9-15)13(14)16/h2-5,11H,6-9H2,1H3,(H2,14,16).
What are the key properties of 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 557681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).