2-(2-amino-4-methylsulfinylphenyl)propan-2-ol

C10H15NO2S — CID 166462037

IUPAC2-(2-amino-4-methylsulfinylphenyl)propan-2-ol
SMILESCS(=O)c1ccc(C(C)(C)O)c(N)c1
InChIInChI=1S/C10H15NO2S/c1-10(2,12)8-5-4-7(14(3)13)6-9(8)11/h4-6,12H,11H2,1-3H3
InChIKeyXMTOPSXQVZDOOX-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.23
Rot. Bonds2

About 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol

2-(2-amino-4-methylsulfinylphenyl)propan-2-ol (PubChem CID 166462037) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-4-methylsulfinylphenyl)propan-2-ol
PubChem CID166462037
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(2-amino-4-methylsulfinylphenyl)propan-2-ol
SMILESCS(=O)c1ccc(C(C)(C)O)c(N)c1
InChIInChI=1S/C10H15NO2S/c1-10(2,12)8-5-4-7(14(3)13)6-9(8)11/h4-6,12H,11H2,1-3H3
InChIKeyXMTOPSXQVZDOOX-UHFFFAOYSA-N
XLogP1.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol?
The IUPAC name of 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol (CID 166462037) is 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol is CS(=O)c1ccc(C(C)(C)O)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol?
The InChIKey is XMTOPSXQVZDOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,12)8-5-4-7(14(3)13)6-9(8)11/h4-6,12H,11H2,1-3H3.
What are the key properties of 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol?
2-(2-amino-4-methylsulfinylphenyl)propan-2-ol has a molecular weight of 213.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylsulfinylphenyl)propan-2-ol is sourced from PubChem (CID 166462037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).