N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide

C15H22N2O2S — CID 61286420

IUPACN-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
SMILESCc1cccc(N)c1NC(=O)CS(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O2S/c1-11-6-5-9-13(16)15(11)17-14(18)10-20(19)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10,16H2,1H3,(H,17,18)
InChIKeyRKPZALVNHLUWPB-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.60
Rot. Bonds4

About N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide

N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide (PubChem CID 61286420) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
PubChem CID61286420
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide
SMILESCc1cccc(N)c1NC(=O)CS(=O)C1CCCCC1
InChIInChI=1S/C15H22N2O2S/c1-11-6-5-9-13(16)15(11)17-14(18)10-20(19)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10,16H2,1H3,(H,17,18)
InChIKeyRKPZALVNHLUWPB-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.60
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-cyclopentylsulfinylacetamide
CID 63115483
N-(3-amino-4-methylphenyl)-2-cyclopentylsulfinylacetamide
CID 63115433
N-(2-amino-6-methylphenyl)cyclohexanecarboxamide
CID 43152327
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9265308
N-(2-aminophenyl)-2-(3-methylcyclohexyl)sulfinylacetamide
CID 62720473
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 43375694
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide (CID 61286420) is N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide is Cc1cccc(N)c1NC(=O)CS(=O)C1CCCCC1.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide?
The InChIKey is RKPZALVNHLUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-6-5-9-13(16)15(11)17-14(18)10-20(19)12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide?
N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide has a molecular weight of 294.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-cyclohexylsulfinylacetamide is sourced from PubChem (CID 61286420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).