N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide

C14H20N4O2S — CID 106598645

IUPACN-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C14H20N4O2S/c15-9-12(11-5-2-1-3-6-11)18-21(19,20)14-7-4-8-17-13(14)10-16/h4,7-8,11-12,18H,1-3,5-6,9,15H2
InChIKeyLIKRYEVHUFQVCV-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.14
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide

N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106598645) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106598645
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C14H20N4O2S/c15-9-12(11-5-2-1-3-6-11)18-21(19,20)14-7-4-8-17-13(14)10-16/h4,7-8,11-12,18H,1-3,5-6,9,15H2
InChIKeyLIKRYEVHUFQVCV-UHFFFAOYSA-N
XLogP1.14
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
CID 120585095
N-(2-amino-1-cyclopentylethyl)-3-fluoropyridine-2-sulfonamide
CID 106737928
N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
CID 115309375
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide
CID 106598642
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide (CID 106598645) is N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is LIKRYEVHUFQVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c15-9-12(11-5-2-1-3-6-11)18-21(19,20)14-7-4-8-17-13(14)10-16/h4,7-8,11-12,18H,1-3,5-6,9,15H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide?
N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106598645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).