N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide

C13H24N2O2S — CID 54947888

IUPACN-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H24N2O2S/c1-3-13(4-2,11-14)15-18(16,17)10-12-8-6-5-7-9-12/h12,15H,3-10H2,1-2H3
InChIKeyBFZTXQGRGGFDPA-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.57
Rot. Bonds6

About N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide

N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide (PubChem CID 54947888) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide
PubChem CID54947888
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H24N2O2S/c1-3-13(4-2,11-14)15-18(16,17)10-12-8-6-5-7-9-12/h12,15H,3-10H2,1-2H3
InChIKeyBFZTXQGRGGFDPA-UHFFFAOYSA-N
XLogP2.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide (CID 54947888) is N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide is CCC(C#N)(CC)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide?
The InChIKey is BFZTXQGRGGFDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-3-13(4-2,11-14)15-18(16,17)10-12-8-6-5-7-9-12/h12,15H,3-10H2,1-2H3.
What are the key properties of N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide?
N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide has a molecular weight of 272.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 54947888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).