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

C16H24N2OS — CID 119602533

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C16H24N2OS/c1-2-20-11-12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,14-15H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeySJQIHIFLUOFTON-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.80
Rot. Bonds6

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

N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide (PubChem CID 119602533) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide
PubChem CID119602533
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C16H24N2OS/c1-2-20-11-12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,14-15H,2-5,10-11,17H2,1H3,(H,18,19)
InChIKeySJQIHIFLUOFTON-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclopentyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 119602599
N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
CID 119603064
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
CID 119604775
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119604415
N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide
CID 119611041
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide (CID 119602533) is N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide is CCSCc1ccc(C(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide?
The InChIKey is SJQIHIFLUOFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-20-11-12-6-8-13(9-7-12)16(19)18-15-5-3-4-14(15)10-17/h6-9,14-15H,2-5,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide?
N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide has a molecular weight of 292.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide is sourced from PubChem (CID 119602533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).