N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide

C16H24N2OS — CID 107174821

IUPACN-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
SMILESCCCSc1ccc(N)c(NC(=O)C2CCCC2C)c1
InChIInChI=1S/C16H24N2OS/c1-3-9-20-12-7-8-14(17)15(10-12)18-16(19)13-6-4-5-11(13)2/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyJZRFEEUYGPZMSN-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.15
Rot. Bonds5

About N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide

N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107174821) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107174821
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
SMILESCCCSc1ccc(N)c(NC(=O)C2CCCC2C)c1
InChIInChI=1S/C16H24N2OS/c1-3-9-20-12-7-8-14(17)15(10-12)18-16(19)13-6-4-5-11(13)2/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyJZRFEEUYGPZMSN-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
CID 43551185
N-(2-amino-5-propylsulfanylphenyl)-1,4-dioxane-2-carboxamide
CID 62799710
N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
CID 62919603
4-propylsulfanylbenzene-1,2-diamine
CID 3017084
N-(2-amino-4-propylsulfanylphenyl)hydroxylamine
CID 130351484
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
CID 20567278
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107184100
N-(2-fluoro-5-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107182876
N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107180012
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192
N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 107178798

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide (CID 107174821) is N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide is CCCSc1ccc(N)c(NC(=O)C2CCCC2C)c1.
What is the InChIKey of N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is JZRFEEUYGPZMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-9-20-12-7-8-14(17)15(10-12)18-16(19)13-6-4-5-11(13)2/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide?
N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).