N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide

C14H28N2O3S — CID 71867717

IUPACN-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O3S/c1-11-8-12(2)10-16(9-11)13(17)15-6-7-20(18,19)14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeySLSICHNNUBSLTI-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.89
Rot. Bonds3

About N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide

N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 71867717) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID71867717
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O3S/c1-11-8-12(2)10-16(9-11)13(17)15-6-7-20(18,19)14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeySLSICHNNUBSLTI-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-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 N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide (CID 71867717) is N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)NCCS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is SLSICHNNUBSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-11-8-12(2)10-16(9-11)13(17)15-6-7-20(18,19)14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17).
What are the key properties of N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide?
N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 71867717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).