1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol

C10H15NO3S — CID 107889485

IUPAC1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)O)c(N)c1
InChIInChI=1S/C10H15NO3S/c1-7-3-4-10(9(11)5-7)15(13,14)6-8(2)12/h3-5,8,12H,6,11H2,1-2H3
InChIKeyUDPGIQTWKPTHAF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.73
Rot. Bonds3

About 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol

1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol (PubChem CID 107889485) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
PubChem CID107889485
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(C)O)c(N)c1
InChIInChI=1S/C10H15NO3S/c1-7-3-4-10(9(11)5-7)15(13,14)6-8(2)12/h3-5,8,12H,6,11H2,1-2H3
InChIKeyUDPGIQTWKPTHAF-UHFFFAOYSA-N
XLogP0.73
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol
CID 124624181
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
5-methyl-2-(2-methylpentylsulfonyl)aniline
CID 81193186
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
2-[(3,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81192314
2-amino-4-methylbenzenesulfonic acid;methanamine
CID 19738432
2-[(2,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81193184
5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]aniline
CID 81192733
5-chloro-2-(2-methylpropylsulfonyl)aniline
CID 81175352
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
4-[(2-amino-4-methylphenyl)sulfonylmethyl]benzamide
CID 81184173
2-[(4-bromophenyl)methylsulfonyl]-5-methylaniline
CID 81192578

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol (CID 107889485) is 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol is Cc1ccc(S(=O)(=O)CC(C)O)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is UDPGIQTWKPTHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7-3-4-10(9(11)5-7)15(13,14)6-8(2)12/h3-5,8,12H,6,11H2,1-2H3.
What are the key properties of 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol?
1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 229.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 107889485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).