N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C16H22N2O3S — CID 3150978

IUPACN-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C16H22N2O3S/c1-12-4-8-15(9-5-12)22(20,21)18-10-2-3-13(11-18)16(19)17-14-6-7-14/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyOOTIFBBSULXAJI-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.67
Rot. Bonds4

About N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3150978) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3150978
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C16H22N2O3S/c1-12-4-8-15(9-5-12)22(20,21)18-10-2-3-13(11-18)16(19)17-14-6-7-14/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyOOTIFBBSULXAJI-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 3150978) is N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is OOTIFBBSULXAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-4-8-15(9-5-12)22(20,21)18-10-2-3-13(11-18)16(19)17-14-6-7-14/h4-5,8-9,13-14H,2-3,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3150978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).