1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide

C15H22N2O3S — CID 23735152

IUPAC1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)CCN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-2-4-14(5-3-12)21(19,20)11-10-17-8-6-13(7-9-17)15(16)18/h2-5,13H,6-11H2,1H3,(H2,16,18)
InChIKeySEKRZHFIYIIPHH-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.97
Rot. Bonds5

About 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide

1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide (PubChem CID 23735152) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
PubChem CID23735152
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)CCN2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-2-4-14(5-3-12)21(19,20)11-10-17-8-6-13(7-9-17)15(16)18/h2-5,13H,6-11H2,1H3,(H2,16,18)
InChIKeySEKRZHFIYIIPHH-UHFFFAOYSA-N
XLogP0.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide (CID 23735152) is 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)CCN2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide?
The InChIKey is SEKRZHFIYIIPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-2-4-14(5-3-12)21(19,20)11-10-17-8-6-13(7-9-17)15(16)18/h2-5,13H,6-11H2,1H3,(H2,16,18).
What are the key properties of 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide?
1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 23735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).