N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide

C17H27N3O3S — CID 119566905

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-13(2)11-19-24(22,23)15-7-5-14(6-8-15)16(21)20-17(12-18)9-3-4-10-17/h5-8,13,19H,3-4,9-12,18H2,1-2H3,(H,20,21)
InChIKeyHJCVXHXPBGKOSK-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.62
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide

N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide (PubChem CID 119566905) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
PubChem CID119566905
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-13(2)11-19-24(22,23)15-7-5-14(6-8-15)16(21)20-17(12-18)9-3-4-10-17/h5-8,13,19H,3-4,9-12,18H2,1-2H3,(H,20,21)
InChIKeyHJCVXHXPBGKOSK-UHFFFAOYSA-N
XLogP1.62
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 119384028
N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119565502
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-4-(methylsulfonylmethyl)benzamide
CID 119565747
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120804882
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
(2S)-3-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]butanoic acid
CID 119359662

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide (CID 119566905) is N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is HJCVXHXPBGKOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)11-19-24(22,23)15-7-5-14(6-8-15)16(21)20-17(12-18)9-3-4-10-17/h5-8,13,19H,3-4,9-12,18H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide?
N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 119566905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).