N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide

C18H27N3O3S — CID 119600674

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
SMILESNCC1CCCC1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C18H27N3O3S/c19-12-14-6-4-10-17(14)20-18(22)13-5-3-9-16(11-13)25(23,24)21-15-7-1-2-8-15/h3,5,9,11,14-15,17,21H,1-2,4,6-8,10,12,19H2,(H,20,22)
InChIKeyZFWFOXCDFVOVMT-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.76
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide

N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide (PubChem CID 119600674) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
PubChem CID119600674
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
SMILESNCC1CCCC1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C18H27N3O3S/c19-12-14-6-4-10-17(14)20-18(22)13-5-3-9-16(11-13)25(23,24)21-15-7-1-2-8-15/h3,5,9,11,14-15,17,21H,1-2,4,6-8,10,12,19H2,(H,20,22)
InChIKeyZFWFOXCDFVOVMT-UHFFFAOYSA-N
XLogP1.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
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-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide;hydrochloride
CID 119610853
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472
3-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 119986214
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide (CID 119600674) is N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide is NCC1CCCC1NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide?
The InChIKey is ZFWFOXCDFVOVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c19-12-14-6-4-10-17(14)20-18(22)13-5-3-9-16(11-13)25(23,24)21-15-7-1-2-8-15/h3,5,9,11,14-15,17,21H,1-2,4,6-8,10,12,19H2,(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide?
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide has a molecular weight of 365.50 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide is sourced from PubChem (CID 119600674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).