N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide

C16H25N3O3S — CID 119570566

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-16(4-2,11-17)18-15(20)12-5-9-14(10-6-12)23(21,22)19-13-7-8-13/h5-6,9-10,13,19H,3-4,7-8,11,17H2,1-2H3,(H,18,20)
InChIKeyHYGBCNWOROBFML-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.37
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide

N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 119570566) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
PubChem CID119570566
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-16(4-2,11-17)18-15(20)12-5-9-14(10-6-12)23(21,22)19-13-7-8-13/h5-6,9-10,13,19H,3-4,7-8,11,17H2,1-2H3,(H,18,20)
InChIKeyHYGBCNWOROBFML-UHFFFAOYSA-N
XLogP1.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 119607469
2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
CID 119199013
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
N-[3-(aminomethyl)pentan-3-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119571745
N-[3-(aminomethyl)pentan-3-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119571744
4-[(4-aminocyclohexyl)sulfamoyl]-N-methylbenzamide;hydrochloride
CID 119970613
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119521902
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide (CID 119570566) is N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide is CCC(CC)(CN)NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is HYGBCNWOROBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-16(4-2,11-17)18-15(20)12-5-9-14(10-6-12)23(21,22)19-13-7-8-13/h5-6,9-10,13,19H,3-4,7-8,11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide?
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 119570566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).