N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride

C15H25ClN2O3S — CID 119599708

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-11(2)9-15(3,10-16)17-14(18)12-6-5-7-13(8-12)21(4,19)20;/h5-8,11H,9-10,16H2,1-4H3,(H,17,18);1H
InChIKeyLXHPCNVHHRNHJO-UHFFFAOYSA-N
MW348.90 g/mol
LogP2.01
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride (PubChem CID 119599708) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
PubChem CID119599708
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-11(2)9-15(3,10-16)17-14(18)12-6-5-7-13(8-12)21(4,19)20;/h5-8,11H,9-10,16H2,1-4H3,(H,17,18);1H
InChIKeyLXHPCNVHHRNHJO-UHFFFAOYSA-N
XLogP2.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119597463
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119597522
N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119599089
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
CID 119984985
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
N-(1-hydroxy-3-methylpentan-3-yl)-3-methylsulfonylbenzamide
CID 103945844

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride (CID 119599708) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cccc(S(C)(=O)=O)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride?
The InChIKey is LXHPCNVHHRNHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-11(2)9-15(3,10-16)17-14(18)12-6-5-7-13(8-12)21(4,19)20;/h5-8,11H,9-10,16H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119599708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).