N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide

C14H20N2O2S — CID 63115433

IUPACN-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide
SMILESCc1ccc(NC(=O)CS(=O)C2CCCC2)cc1N
InChIInChI=1S/C14H20N2O2S/c1-10-6-7-11(8-13(10)15)16-14(17)9-19(18)12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyASLUEUDHJSFDMC-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.21
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide

N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide (PubChem CID 63115433) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide
PubChem CID63115433
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide
SMILESCc1ccc(NC(=O)CS(=O)C2CCCC2)cc1N
InChIInChI=1S/C14H20N2O2S/c1-10-6-7-11(8-13(10)15)16-14(17)9-19(18)12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyASLUEUDHJSFDMC-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.21
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

N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929
N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
CID 61286420
N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
CID 63115483
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
CID 63115470
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(3-amino-4-methylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62057767
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63954898
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide (CID 63115433) is N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide is Cc1ccc(NC(=O)CS(=O)C2CCCC2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide?
The InChIKey is ASLUEUDHJSFDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-6-7-11(8-13(10)15)16-14(17)9-19(18)12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide?
N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide is sourced from PubChem (CID 63115433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).