3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide

C15H30N2O2S — CID 91642856

IUPAC3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
SMILESCC1CCCC(CCNS(=O)(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C15H30N2O2S/c1-13-5-3-7-15(11-13)8-9-16-20(18,19)17-10-4-6-14(2)12-17/h13-16H,3-12H2,1-2H3
InChIKeyDAQBTIWRILAGPG-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.77
Rot. Bonds5

About 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide

3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide (PubChem CID 91642856) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
PubChem CID91642856
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
SMILESCC1CCCC(CCNS(=O)(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C15H30N2O2S/c1-13-5-3-7-15(11-13)8-9-16-20(18,19)17-10-4-6-14(2)12-17/h13-16H,3-12H2,1-2H3
InChIKeyDAQBTIWRILAGPG-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide (CID 91642856) is 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide is CC1CCCC(CCNS(=O)(=O)N2CCCC(C)C2)C1.
What is the InChIKey of 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide?
The InChIKey is DAQBTIWRILAGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13-5-3-7-15(11-13)8-9-16-20(18,19)17-10-4-6-14(2)12-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide?
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 91642856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).