N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide

C13H19N3O2S — CID 43606402

IUPACN-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H19N3O2S/c1-10(2)6-12(15)9-16-19(17,18)13-5-3-4-11(7-13)8-14/h3-5,7,10,12,16H,6,9,15H2,1-2H3
InChIKeyNCDVEEUGGPCLTE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.21
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide

N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide (PubChem CID 43606402) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
PubChem CID43606402
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H19N3O2S/c1-10(2)6-12(15)9-16-19(17,18)13-5-3-4-11(7-13)8-14/h3-5,7,10,12,16H,6,9,15H2,1-2H3
InChIKeyNCDVEEUGGPCLTE-UHFFFAOYSA-N
XLogP1.21
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-cyanobenzenesulfonamide
CID 119976036
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43606425
3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664547
N-(2-amino-4-methylpentyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43606280
3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060484
2-[(3-cyanophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 115569559
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
CID 99627369
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47006104
3-cyano-N-pentylbenzenesulfonamide
CID 3575653

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide (CID 43606402) is N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide is CC(C)CC(N)CNS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide?
The InChIKey is NCDVEEUGGPCLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10(2)6-12(15)9-16-19(17,18)13-5-3-4-11(7-13)8-14/h3-5,7,10,12,16H,6,9,15H2,1-2H3.
What are the key properties of N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide?
N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 43606402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).