N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide

C17H27N3O3S — CID 119603064

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C17H27N3O3S/c1-3-20(4-2)24(22,23)15-10-8-13(9-11-15)17(21)19-16-7-5-6-14(16)12-18/h8-11,14,16H,3-7,12,18H2,1-2H3,(H,19,21)
InChIKeyBGEKSFFPKABBPD-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide

N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 119603064) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
PubChem CID119603064
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C17H27N3O3S/c1-3-20(4-2)24(22,23)15-10-8-13(9-11-15)17(21)19-16-7-5-6-14(16)12-18/h8-11,14,16H,3-7,12,18H2,1-2H3,(H,19,21)
InChIKeyBGEKSFFPKABBPD-UHFFFAOYSA-N
XLogP1.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119601816
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119601815
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide
CID 119602533
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
CID 119604775
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-methylsulfonylbenzamide;hydrochloride
CID 119602106

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide (CID 119603064) is N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is BGEKSFFPKABBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-20(4-2)24(22,23)15-10-8-13(9-11-15)17(21)19-16-7-5-6-14(16)12-18/h8-11,14,16H,3-7,12,18H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide?
N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 119603064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).