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

C17H22ClN3O3S2 — CID 119603184

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H21N3O3S2.ClH/c18-11-13-5-2-7-15(13)19-17(21)12-4-1-6-14(10-12)20-25(22,23)16-8-3-9-24-16;/h1,3-4,6,8-10,13,15,20H,2,5,7,11,18H2,(H,19,21);1H
InChIKeyFBJVUQWIMWILAW-UHFFFAOYSA-N
MW415.97 g/mol
LogP2.83
Rot. Bonds6

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

N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (PubChem CID 119603184) has the molecular formula C17H22ClN3O3S2 and a molecular weight of 415.97 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
PubChem CID119603184
Molecular FormulaC17H22ClN3O3S2
Molecular Weight415.97 g/mol
Exact Mass415.08
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H21N3O3S2.ClH/c18-11-13-5-2-7-15(13)19-17(21)12-4-1-6-14(10-12)20-25(22,23)16-8-3-9-24-16;/h1,3-4,6,8-10,13,15,20H,2,5,7,11,18H2,(H,19,21);1H
InChIKeyFBJVUQWIMWILAW-UHFFFAOYSA-N
XLogP2.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119611057
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
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]-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 119610735
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
CID 119601552
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (CID 119603184) is N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The InChIKey is FBJVUQWIMWILAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2.ClH/c18-11-13-5-2-7-15(13)19-17(21)12-4-1-6-14(10-12)20-25(22,23)16-8-3-9-24-16;/h1,3-4,6,8-10,13,15,20H,2,5,7,11,18H2,(H,19,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119603184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).