N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide

C13H18N2O2S — CID 63115483

IUPACN-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
SMILESNc1ccccc1NC(=O)CS(=O)C1CCCC1
InChIInChI=1S/C13H18N2O2S/c14-11-7-3-4-8-12(11)15-13(16)9-18(17)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16)
InChIKeyZNGXCIVJSQYFMM-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.90
Rot. Bonds4

About N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide

N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide (PubChem CID 63115483) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
PubChem CID63115483
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
SMILESNc1ccccc1NC(=O)CS(=O)C1CCCC1
InChIInChI=1S/C13H18N2O2S/c14-11-7-3-4-8-12(11)15-13(16)9-18(17)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16)
InChIKeyZNGXCIVJSQYFMM-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.90
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-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473
N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
CID 63115470
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
CID 61286420
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide
CID 63115433
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfinyl)acetamide
CID 62995762
N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide
CID 63115237
N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
CID 60884706
N-(2-aminophenyl)-3-cyclohexylbutanamide;hydrochloride
CID 119422685
2-cyclopentylsulfinyl-1-phenylethanone
CID 64639576

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide?
The IUPAC name of N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide (CID 63115483) is N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide?
The canonical SMILES for N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide is Nc1ccccc1NC(=O)CS(=O)C1CCCC1.
What is the InChIKey of N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide?
The InChIKey is ZNGXCIVJSQYFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-11-7-3-4-8-12(11)15-13(16)9-18(17)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,14H2,(H,15,16).
What are the key properties of N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide?
N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide is sourced from PubChem (CID 63115483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).