N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

C20H34ClN3O3S — CID 119600106

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-15(2)13-20(4,14-21)22-19(24)17-8-10-18(11-9-17)27(25,26)23-12-6-5-7-16(23)3;/h8-11,15-16H,5-7,12-14,21H2,1-4H3,(H,22,24);1H
InChIKeyZVYJXQZSZOCSAG-UHFFFAOYSA-N
MW432.03 g/mol
LogP3.16
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119600106) has the molecular formula C20H34ClN3O3S and a molecular weight of 432.03 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID119600106
Molecular FormulaC20H34ClN3O3S
Molecular Weight432.03 g/mol
Exact Mass431.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1.Cl
InChIInChI=1S/C20H33N3O3S.ClH/c1-15(2)13-20(4,14-21)22-19(24)17-8-10-18(11-9-17)27(25,26)23-12-6-5-7-16(23)3;/h8-11,15-16H,5-7,12-14,21H2,1-4H3,(H,22,24);1H
InChIKeyZVYJXQZSZOCSAG-UHFFFAOYSA-N
XLogP3.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.03
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119524840
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 119597476
N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
[2-oxo-2-(propan-2-ylamino)ethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881608
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 119597958
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119597620
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119598801
1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclopropane-1-carboxylic acid
CID 97337411

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (CID 119600106) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is ZVYJXQZSZOCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S.ClH/c1-15(2)13-20(4,14-21)22-19(24)17-8-10-18(11-9-17)27(25,26)23-12-6-5-7-16(23)3;/h8-11,15-16H,5-7,12-14,21H2,1-4H3,(H,22,24);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 432.03 g/mol, XLogP of 3.16, 7 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)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119600106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).