3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

C15H22N2O3S — CID 657951

IUPAC3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCCC(C)(C)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-5-7-13(8-6-12)21(19,20)16-14(18)17-10-4-9-15(2,3)11-17/h5-8H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyRHYZGUNIISSACU-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.52
Rot. Bonds2

About 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide

3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 657951) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
PubChem CID657951
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCCC(C)(C)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-5-7-13(8-6-12)21(19,20)16-14(18)17-10-4-9-15(2,3)11-17/h5-8H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyRHYZGUNIISSACU-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide (CID 657951) is 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CCCC(C)(C)C2)cc1.
What is the InChIKey of 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is RHYZGUNIISSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-5-7-13(8-6-12)21(19,20)16-14(18)17-10-4-9-15(2,3)11-17/h5-8H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide?
3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 657951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).