1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol

C9H13NO3S — CID 115832186

IUPAC1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
SMILESCS(=O)(=O)CC(O)Cc1cccnc1
InChIInChI=1S/C9H13NO3S/c1-14(12,13)7-9(11)5-8-3-2-4-10-6-8/h2-4,6,9,11H,5,7H2,1H3
InChIKeyYRCLEQOFYBCIPF-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.03
Rot. Bonds4

About 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol

1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol (PubChem CID 115832186) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
PubChem CID115832186
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
SMILESCS(=O)(=O)CC(O)Cc1cccnc1
InChIInChI=1S/C9H13NO3S/c1-14(12,13)7-9(11)5-8-3-2-4-10-6-8/h2-4,6,9,11H,5,7H2,1H3
InChIKeyYRCLEQOFYBCIPF-UHFFFAOYSA-N
XLogP0.03
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyridin-3-ylpentan-2-ol
CID 62553061
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
CID 114998518
N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 105034585
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364
5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
CID 103089755
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
4-propoxy-1-pyridin-3-ylbutan-2-ol
CID 105125026

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol (CID 115832186) is 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol is CS(=O)(=O)CC(O)Cc1cccnc1.
What is the InChIKey of 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol?
The InChIKey is YRCLEQOFYBCIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-14(12,13)7-9(11)5-8-3-2-4-10-6-8/h2-4,6,9,11H,5,7H2,1H3.
What are the key properties of 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol?
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol has a molecular weight of 215.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 115832186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).