N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide

C12H22N2O2S — CID 54947839

IUPACN-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H22N2O2S/c1-3-12(2,10-13)14-17(15,16)9-11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3
InChIKeyKHCDDCMLHLMTHL-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.18
Rot. Bonds5

About N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide

N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide (PubChem CID 54947839) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide
PubChem CID54947839
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H22N2O2S/c1-3-12(2,10-13)14-17(15,16)9-11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3
InChIKeyKHCDDCMLHLMTHL-UHFFFAOYSA-N
XLogP2.18
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide 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-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide (CID 54947839) is N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide is CCC(C)(C#N)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide?
The InChIKey is KHCDDCMLHLMTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-12(2,10-13)14-17(15,16)9-11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3.
What are the key properties of N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide?
N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide has a molecular weight of 258.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 54947839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).