N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride

C17H28ClN3O3S — CID 119571385

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-3-17(4-2,12-18)20-16(21)14-6-5-7-15(10-14)24(22,23)19-11-13-8-9-13;/h5-7,10,13,19H,3-4,8-9,11-12,18H2,1-2H3,(H,20,21);1H
InChIKeyDNJPSQXOIFZQMQ-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.04
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119571385) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119571385
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-3-17(4-2,12-18)20-16(21)14-6-5-7-15(10-14)24(22,23)19-11-13-8-9-13;/h5-7,10,13,19H,3-4,8-9,11-12,18H2,1-2H3,(H,20,21);1H
InChIKeyDNJPSQXOIFZQMQ-UHFFFAOYSA-N
XLogP2.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772
N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119568702
3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
CID 56523768
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119591529
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119570578
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (CID 119571385) is N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is DNJPSQXOIFZQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-3-17(4-2,12-18)20-16(21)14-6-5-7-15(10-14)24(22,23)19-11-13-8-9-13;/h5-7,10,13,19H,3-4,8-9,11-12,18H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.04, 9 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]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119571385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).