3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol

C8H12N2O3S — CID 62605954

IUPAC3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1cnccn1
InChIInChI=1S/C8H12N2O3S/c1-14(12,13)5-2-8(11)7-6-9-3-4-10-7/h3-4,6,8,11H,2,5H2,1H3
InChIKeyLWUDZLNXXBWWEZ-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.06
Rot. Bonds4

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

3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol (PubChem CID 62605954) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
PubChem CID62605954
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1cnccn1
InChIInChI=1S/C8H12N2O3S/c1-14(12,13)5-2-8(11)7-6-9-3-4-10-7/h3-4,6,8,11H,2,5H2,1H3
InChIKeyLWUDZLNXXBWWEZ-UHFFFAOYSA-N
XLogP-0.06
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-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

N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192034
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
(1S)-3-amino-1-pyrazin-2-ylpropan-1-ol
CID 96734232
3-methoxy-1-pyrazin-2-ylpropan-1-ol
CID 62608017
3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol
CID 62608221
4-pyrazin-2-ylbutane-1,1,1,4-tetrol
CID 87881315
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
3-propan-2-yloxy-1-pyrazin-2-ylpropan-1-ol
CID 114997368
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838
2-amino-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 116552025
2-(2-methylsulfonylethyl)pyrazine
CID 102287651
3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-ol
CID 115001589

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol?
The IUPAC name of 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol (CID 62605954) is 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol?
The canonical SMILES for 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol is CS(=O)(=O)CCC(O)c1cnccn1.
What is the InChIKey of 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol?
The InChIKey is LWUDZLNXXBWWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-14(12,13)5-2-8(11)7-6-9-3-4-10-7/h3-4,6,8,11H,2,5H2,1H3.
What are the key properties of 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol?
3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol has a molecular weight of 216.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol is sourced from PubChem (CID 62605954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).