N-(2-cyanobutan-2-yl)cyclohexanesulfonamide

C11H20N2O2S — CID 61122113

IUPACN-(2-cyanobutan-2-yl)cyclohexanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H20N2O2S/c1-3-11(2,9-12)13-16(14,15)10-7-5-4-6-8-10/h10,13H,3-8H2,1-2H3
InChIKeyZTHUCJIJDYRTEJ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.93
Rot. Bonds4

About N-(2-cyanobutan-2-yl)cyclohexanesulfonamide

N-(2-cyanobutan-2-yl)cyclohexanesulfonamide (PubChem CID 61122113) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)cyclohexanesulfonamide
PubChem CID61122113
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyanobutan-2-yl)cyclohexanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H20N2O2S/c1-3-11(2,9-12)13-16(14,15)10-7-5-4-6-8-10/h10,13H,3-8H2,1-2H3
InChIKeyZTHUCJIJDYRTEJ-UHFFFAOYSA-N
XLogP1.93
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanobutan-2-yl)cyclohexanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361290
N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide
CID 61122119
2-methyl-2-(methylsulfamoylamino)butanenitrile
CID 114807719
2-(cyclopentylsulfonylamino)-2-methylbutanimidamide
CID 105361960
2-cyclopentylsulfonyl-2-methylpropanenitrile
CID 116855068
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984
N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide
CID 107868291
N-(1-amino-2-cyclopropylpropan-2-yl)cyclopentanesulfonamide
CID 115752437
(cyclohexylsulfonylamino) 2,2-dimethylbutanoate
CID 59502986
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123
N-(2-cyanopropan-2-yl)-1,1-dioxothiane-4-sulfonamide
CID 62084942
N-(3-amino-2-methylbutan-2-yl)cyclopentanesulfonamide
CID 105361891

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)cyclohexanesulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)cyclohexanesulfonamide (CID 61122113) is N-(2-cyanobutan-2-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)cyclohexanesulfonamide is CCC(C)(C#N)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-cyanobutan-2-yl)cyclohexanesulfonamide?
The InChIKey is ZTHUCJIJDYRTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-11(2,9-12)13-16(14,15)10-7-5-4-6-8-10/h10,13H,3-8H2,1-2H3.
What are the key properties of N-(2-cyanobutan-2-yl)cyclohexanesulfonamide?
N-(2-cyanobutan-2-yl)cyclohexanesulfonamide has a molecular weight of 244.36 g/mol, XLogP of 1.93, 4 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)cyclohexanesulfonamide is sourced from PubChem (CID 61122113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).