2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide

C13H20N2O2S — CID 81193087

IUPAC2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
SMILESCc1cc(N)ccc1S(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O2S/c1-9-7-10(14)5-6-11(9)18(17)8-12(16)15-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyBZTKBRAXSOALJV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.60
Rot. Bonds3

About 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide

2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide (PubChem CID 81193087) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
PubChem CID81193087
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
SMILESCc1cc(N)ccc1S(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O2S/c1-9-7-10(14)5-6-11(9)18(17)8-12(16)15-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyBZTKBRAXSOALJV-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.60
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

2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81192225
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
2-(3-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81190716
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61287855
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
2-(4-amino-2-methylphenyl)sulfinyl-1-(4-methylpiperazin-1-yl)ethanone
CID 81192467
4-(2-fluoroethylsulfinyl)-3-methylaniline
CID 81192968
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide (CID 81193087) is 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide is Cc1cc(N)ccc1S(=O)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide?
The InChIKey is BZTKBRAXSOALJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-7-10(14)5-6-11(9)18(17)8-12(16)15-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide?
2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide is sourced from PubChem (CID 81193087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).