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

C16H24ClN3O3S — CID 119600579

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC2CCCC2CN)c1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-2-9-18-23(21,22)14-7-3-5-12(10-14)16(20)19-15-8-4-6-13(15)11-17;/h2-3,5,7,10,13,15,18H,1,4,6,8-9,11,17H2,(H,19,20);1H
InChIKeyPQTXIUQWWAZLQN-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.43
Rot. Bonds7

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

N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride (PubChem CID 119600579) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
PubChem CID119600579
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC2CCCC2CN)c1.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-2-9-18-23(21,22)14-7-3-5-12(10-14)16(20)19-15-8-4-6-13(15)11-17;/h2-3,5,7,10,13,15,18H,1,4,6,8-9,11,17H2,(H,19,20);1H
InChIKeyPQTXIUQWWAZLQN-UHFFFAOYSA-N
XLogP1.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.43
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-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119602999
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119564871
N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119603567

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride (CID 119600579) is N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride is C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCCC2CN)c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
The InChIKey is PQTXIUQWWAZLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-2-9-18-23(21,22)14-7-3-5-12(10-14)16(20)19-15-8-4-6-13(15)11-17;/h2-3,5,7,10,13,15,18H,1,4,6,8-9,11,17H2,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.43, 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-(prop-2-enylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119600579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).