N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide

C15H22N2OS — CID 106737308

IUPACN-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NC(CN)C2CCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-19-13-8-6-12(7-9-13)15(18)17-14(10-16)11-4-2-3-5-11/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18)
InChIKeyPCRXITWDMBRDCZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.66
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide

N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide (PubChem CID 106737308) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
PubChem CID106737308
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NC(CN)C2CCCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-19-13-8-6-12(7-9-13)15(18)17-14(10-16)11-4-2-3-5-11/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18)
InChIKeyPCRXITWDMBRDCZ-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119590390
N-(2-amino-1-cyclohexylethyl)-3-methylsulfanylthiophene-2-carboxamide
CID 119589249
N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
N-(2-amino-1-cyclohexylethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119591997
N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119591807
N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119589185
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide (CID 106737308) is N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NC(CN)C2CCCC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide?
The InChIKey is PCRXITWDMBRDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-19-13-8-6-12(7-9-13)15(18)17-14(10-16)11-4-2-3-5-11/h6-9,11,14H,2-5,10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide?
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide has a molecular weight of 278.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 106737308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).