2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide

C16H24N2O2S — CID 81192665

IUPAC2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
SMILESCc1ccc(N)cc1S(=O)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-11-8-9-13(17)10-15(11)21(20)12(2)16(19)18-14-6-4-3-5-7-14/h8-10,12,14H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyYINBIRKWFPTQHZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.52
Rot. Bonds4

About 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide

2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide (PubChem CID 81192665) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
PubChem CID81192665
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
SMILESCc1ccc(N)cc1S(=O)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-11-8-9-13(17)10-15(11)21(20)12(2)16(19)18-14-6-4-3-5-7-14/h8-10,12,14H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyYINBIRKWFPTQHZ-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.52
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

2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
CID 81190714
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
2-(5-amino-2-methylphenyl)sulfinyl-1-piperidin-1-ylpropan-1-one
CID 81190094
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322121
2-(3-aminophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81180898
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
CID 61288866
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide
CID 61366940
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide (CID 81192665) is 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide is Cc1ccc(N)cc1S(=O)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide?
The InChIKey is YINBIRKWFPTQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-8-9-13(17)10-15(11)21(20)12(2)16(19)18-14-6-4-3-5-7-14/h8-10,12,14H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide?
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide is sourced from PubChem (CID 81192665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).