N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide

C13H27N3O2S — CID 58780675

IUPACN-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)15-11-13(12-5-3-2-4-6-12)16-9-7-14-8-10-16/h12-15H,2-11H2,1H3
InChIKeyWJNNSHYLMNCJSL-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.39
Rot. Bonds5

About N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide

N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 58780675) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID58780675
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(C1CCCCC1)N1CCNCC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)15-11-13(12-5-3-2-4-6-12)16-9-7-14-8-10-16/h12-15H,2-11H2,1H3
InChIKeyWJNNSHYLMNCJSL-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide (CID 58780675) is N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide is CS(=O)(=O)NCC(C1CCCCC1)N1CCNCC1.
What is the InChIKey of N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is WJNNSHYLMNCJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-19(17,18)15-11-13(12-5-3-2-4-6-12)16-9-7-14-8-10-16/h12-15H,2-11H2,1H3.
What are the key properties of N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide?
N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 58780675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).