1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol

C10H15NO3S — CID 79022105

IUPAC1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(O)CN)cc1
InChIInChI=1S/C10H15NO3S/c1-8-2-4-10(5-3-8)15(13,14)7-9(12)6-11/h2-5,9,12H,6-7,11H2,1H3
InChIKeyBUXIVUIGMHKVPZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.09
Rot. Bonds4

About 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol

1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol (PubChem CID 79022105) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
PubChem CID79022105
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)CC(O)CN)cc1
InChIInChI=1S/C10H15NO3S/c1-8-2-4-10(5-3-8)15(13,14)7-9(12)6-11/h2-5,9,12H,6-7,11H2,1H3
InChIKeyBUXIVUIGMHKVPZ-UHFFFAOYSA-N
XLogP0.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-1-(4-methylphenyl)sulfonylheptan-2-ol
CID 118049409
(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
CID 14640296
[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl] thiocyanate
CID 15054848
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
CID 114243943
(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol
CID 118527312
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
1-[(4-methylphenyl)sulfonylmethoxy]ethane-1,2-diamine
CID 67790048
2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol
CID 147314995
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
1-(2,3-dibromopropylsulfonyl)-4-methylbenzene
CID 15697980
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol (CID 79022105) is 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol is Cc1ccc(S(=O)(=O)CC(O)CN)cc1.
What is the InChIKey of 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is BUXIVUIGMHKVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8-2-4-10(5-3-8)15(13,14)7-9(12)6-11/h2-5,9,12H,6-7,11H2,1H3.
What are the key properties of 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol?
1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 229.30 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 79022105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).