N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide

C11H22N2O2S — CID 24827592

IUPACN-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCCCCC(C)(C#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-6-7-8-11(5,9-12)13-16(14,15)10(2,3)4/h13H,6-8H2,1-5H3
InChIKeyJLJMFZBZEHRHKZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.18
Rot. Bonds5

About N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide

N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide (PubChem CID 24827592) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide
PubChem CID24827592
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCCCCC(C)(C#N)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2S/c1-6-7-8-11(5,9-12)13-16(14,15)10(2,3)4/h13H,6-8H2,1-5H3
InChIKeyJLJMFZBZEHRHKZ-UHFFFAOYSA-N
XLogP2.18
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)propane-2-sulfonamide
CID 61123668
2-cyano-N-(3-cyanopropyl)hexane-2-sulfonamide
CID 151799268
4-amino-N-tert-butyl-2,4-dimethylpentane-2-sulfonamide
CID 169963883
N-(1-cyanocyclopentyl)butane-1-sulfonamide
CID 55138336
N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfonamide
CID 55233411
N-(3-cyanopentan-3-yl)-2-methylpropane-2-sulfonamide
CID 55248306
N-(1-cyanocyclopentyl)-3-methylbutane-1-sulfonamide
CID 55259190
N-(1-cyanocyclohexyl)propane-2-sulfonamide
CID 61122084
N-(1-cyanocyclohexyl)propane-1-sulfonamide
CID 61122875
N-(1-cyanocyclohexyl)butane-1-sulfonamide
CID 61122876
N-(1-cyanocyclohexyl)ethanesulfonamide
CID 61122877
N-(1-cyanocyclopentyl)propane-1-sulfonamide
CID 61124468

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide (CID 24827592) is N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide is CCCCC(C)(C#N)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is JLJMFZBZEHRHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-6-7-8-11(5,9-12)13-16(14,15)10(2,3)4/h13H,6-8H2,1-5H3.
What are the key properties of N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide?
N-(2-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 246.38 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-cyanohexan-2-yl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 24827592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).