N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride

C18H28ClN3O3S — CID 119611856

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C18H27N3O3S.ClH/c19-11-15-4-1-2-7-17(15)21-18(22)14-5-3-6-16(10-14)25(23,24)20-12-13-8-9-13;/h3,5-6,10,13,15,17,20H,1-2,4,7-9,11-12,19H2,(H,21,22);1H
InChIKeyKGZURXTWAXDGBI-UHFFFAOYSA-N
MW401.96 g/mol
LogP2.04
Rot. Bonds7

About N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119611856) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119611856
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C18H27N3O3S.ClH/c19-11-15-4-1-2-7-17(15)21-18(22)14-5-3-6-16(10-14)25(23,24)20-12-13-8-9-13;/h3,5-6,10,13,15,17,20H,1-2,4,7-9,11-12,19H2,(H,21,22);1H
InChIKeyKGZURXTWAXDGBI-UHFFFAOYSA-N
XLogP2.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119602999
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
N-(2-amino-1-cyclohexylethyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119591529
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119571385
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119603567
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride (CID 119611856) is N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is KGZURXTWAXDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S.ClH/c19-11-15-4-1-2-7-17(15)21-18(22)14-5-3-6-16(10-14)25(23,24)20-12-13-8-9-13;/h3,5-6,10,13,15,17,20H,1-2,4,7-9,11-12,19H2,(H,21,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119611856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).