N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide

C16H24N2O2S — CID 61288866

IUPACN-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)S(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-11-8-9-13(17)10-15(11)18-16(19)12(2)21(20)14-6-4-3-5-7-14/h8-10,12,14H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyKXBSHQCWZLMFDP-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.99
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide

N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide (PubChem CID 61288866) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
PubChem CID61288866
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)S(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O2S/c1-11-8-9-13(17)10-15(11)18-16(19)12(2)21(20)14-6-4-3-5-7-14/h8-10,12,14H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyKXBSHQCWZLMFDP-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide
CID 63119626
N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
N-(5-amino-2-methylphenyl)-3-cyclopentylsulfinylpropanamide
CID 63115345
N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120569096
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
CID 61302835
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide
CID 62722453
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544200

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide (CID 61288866) is N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide is Cc1ccc(N)cc1NC(=O)C(C)S(=O)C1CCCCC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide?
The InChIKey is KXBSHQCWZLMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-8-9-13(17)10-15(11)18-16(19)12(2)21(20)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 N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide?
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide is sourced from PubChem (CID 61288866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).