1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol

C10H15NO2S — CID 107889569

IUPAC1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol
SMILESCc1ccc(N)cc1S(=O)CC(C)O
InChIInChI=1S/C10H15NO2S/c1-7-3-4-9(11)5-10(7)14(13)6-8(2)12/h3-5,8,12H,6,11H2,1-2H3
InChIKeyJPHKJFOWZZVNFT-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.07
Rot. Bonds3

About 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol

1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol (PubChem CID 107889569) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol
PubChem CID107889569
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol
SMILESCc1ccc(N)cc1S(=O)CC(C)O
InChIInChI=1S/C10H15NO2S/c1-7-3-4-9(11)5-10(7)14(13)6-8(2)12/h3-5,8,12H,6,11H2,1-2H3
InChIKeyJPHKJFOWZZVNFT-UHFFFAOYSA-N
XLogP1.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.07
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

4-methyl-3-(2-methylpentylsulfinyl)aniline
CID 81191193
3-(5-amino-2-methylphenyl)sulfinyl-N-propan-2-ylpropanamide
CID 81190771
2-(5-amino-2-methylphenyl)sulfinylacetonitrile
CID 81190853
4-methyl-3-[2-(2-methylpropoxy)ethylsulfinyl]aniline
CID 106460020
4-methyl-3-methylsulfinylaniline
CID 79006286
4-methyl-3-[(4-methylphenyl)methylsulfinyl]aniline
CID 81191356
4-methyl-3-nonylsulfinylaniline
CID 81191018
3-[(2,5-dimethylphenyl)methylsulfinyl]-4-methylaniline
CID 81190175
2-[(5-amino-2-methylphenyl)sulfinylmethyl]benzamide
CID 81190861
3-(3-ethoxypropylsulfinyl)-4-methylaniline
CID 81190858
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
4-methyl-3-(2-phenoxyethylsulfinyl)aniline
CID 81191188

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol?
The IUPAC name of 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol (CID 107889569) is 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol is Cc1ccc(N)cc1S(=O)CC(C)O.
What is the InChIKey of 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol?
The InChIKey is JPHKJFOWZZVNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-3-4-9(11)5-10(7)14(13)6-8(2)12/h3-5,8,12H,6,11H2,1-2H3.
What are the key properties of 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol?
1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol has a molecular weight of 213.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylphenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 107889569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).