N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C16H25N3O3S — CID 119604290

IUPACN-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C16H25N3O3S/c1-18-23(21,22)14-8-5-12(6-9-14)7-10-16(20)19-15-4-2-3-13(15)11-17/h5-6,8-9,13,15,18H,2-4,7,10-11,17H2,1H3,(H,19,20)
InChIKeyHBJDLHZIGGLMLP-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.77
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 119604290) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID119604290
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C16H25N3O3S/c1-18-23(21,22)14-8-5-12(6-9-14)7-10-16(20)19-15-4-2-3-13(15)11-17/h5-6,8-9,13,15,18H,2-4,7,10-11,17H2,1H3,(H,19,20)
InChIKeyHBJDLHZIGGLMLP-UHFFFAOYSA-N
XLogP0.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119601816
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119601815
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119609699
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119591484
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 119604290) is N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is HBJDLHZIGGLMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18-23(21,22)14-8-5-12(6-9-14)7-10-16(20)19-15-4-2-3-13(15)11-17/h5-6,8-9,13,15,18H,2-4,7,10-11,17H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 339.46 g/mol, XLogP of 0.77, 7 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-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 119604290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).