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

C18H24ClN3O3S2 — CID 119611057

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H23N3O3S2.ClH/c19-12-14-5-1-2-8-16(14)20-18(22)13-6-3-7-15(11-13)21-26(23,24)17-9-4-10-25-17;/h3-4,6-7,9-11,14,16,21H,1-2,5,8,12,19H2,(H,20,22);1H
InChIKeyMXSLTICWLRJJIK-UHFFFAOYSA-N
MW430.00 g/mol
LogP3.22
Rot. Bonds6

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

N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (PubChem CID 119611057) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
PubChem CID119611057
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H23N3O3S2.ClH/c19-12-14-5-1-2-8-16(14)20-18(22)13-6-3-7-15(11-13)21-26(23,24)17-9-4-10-25-17;/h3-4,6-7,9-11,14,16,21H,1-2,5,8,12,19H2,(H,20,22);1H
InChIKeyMXSLTICWLRJJIK-UHFFFAOYSA-N
XLogP3.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119603184
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
N-[2-(aminomethyl)cyclohexyl]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 119610735
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119574325
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119457637
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (CID 119611057) is N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The InChIKey is MXSLTICWLRJJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c19-12-14-5-1-2-8-16(14)20-18(22)13-6-3-7-15(11-13)21-26(23,24)17-9-4-10-25-17;/h3-4,6-7,9-11,14,16,21H,1-2,5,8,12,19H2,(H,20,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119611057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).