N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide

C16H23N3O3S — CID 119564871

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C16H23N3O3S/c1-2-10-18-23(21,22)14-7-5-6-13(11-14)15(20)19-16(12-17)8-3-4-9-16/h2,5-7,11,18H,1,3-4,8-10,12,17H2,(H,19,20)
InChIKeyIQOCCQLNJZTURT-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.15
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide

N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 119564871) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID119564871
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C16H23N3O3S/c1-2-10-18-23(21,22)14-7-5-6-13(11-14)15(20)19-16(12-17)8-3-4-9-16/h2,5-7,11,18H,1,3-4,8-10,12,17H2,(H,19,20)
InChIKeyIQOCCQLNJZTURT-UHFFFAOYSA-N
XLogP1.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119566712
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605
N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119568702
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 7973988
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 119564871) is N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is IQOCCQLNJZTURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-2-10-18-23(21,22)14-7-5-6-13(11-14)15(20)19-16(12-17)8-3-4-9-16/h2,5-7,11,18H,1,3-4,8-10,12,17H2,(H,19,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 337.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 119564871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).