N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide

C14H28N2O2S — CID 47022422

IUPACN-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2CCCC(C)C2C)CC1
InChIInChI=1S/C14H28N2O2S/c1-11-7-9-16(10-8-11)19(17,18)15-14-6-4-5-12(2)13(14)3/h11-15H,4-10H2,1-3H3
InChIKeyYRBDBIGHGRORNN-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.38
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide

N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 47022422) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
PubChem CID47022422
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2CCCC(C)C2C)CC1
InChIInChI=1S/C14H28N2O2S/c1-11-7-9-16(10-8-11)19(17,18)15-14-6-4-5-12(2)13(14)3/h11-15H,4-10H2,1-3H3
InChIKeyYRBDBIGHGRORNN-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide (CID 47022422) is N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC2CCCC(C)C2C)CC1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is YRBDBIGHGRORNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-11-7-9-16(10-8-11)19(17,18)15-14-6-4-5-12(2)13(14)3/h11-15H,4-10H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide?
N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 288.46 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 47022422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).