N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide

C15H22N2O3S — CID 119567918

IUPACN-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)13-7-5-12(6-8-13)14(18)17-15(11-16)9-3-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H,17,18)
InChIKeyFAGURPCNQQQDAD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.48
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide

N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide (PubChem CID 119567918) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
PubChem CID119567918
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)13-7-5-12(6-8-13)14(18)17-15(11-16)9-3-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H,17,18)
InChIKeyFAGURPCNQQQDAD-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119566905
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-4-(methylsulfonylmethyl)benzamide
CID 119565747
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-[1-(aminomethyl)cyclopentyl]-4-benzamidobenzamide
CID 119567292
N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119565502

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide (CID 119567918) is N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccc(C(=O)NC2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide?
The InChIKey is FAGURPCNQQQDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-21(19,20)13-7-5-12(6-8-13)14(18)17-15(11-16)9-3-4-10-15/h5-8H,2-4,9-11,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide?
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide is sourced from PubChem (CID 119567918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).