3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol

C8H16O3S2 — CID 117237716

IUPAC3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol
SMILESCS(=O)(=O)CC(CO)C1CCSC1
InChIInChI=1S/C8H16O3S2/c1-13(10,11)6-8(4-9)7-2-3-12-5-7/h7-9H,2-6H2,1H3
InChIKeyGZIITDLPSCFHKT-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.39
Rot. Bonds4

About 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol

3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol (PubChem CID 117237716) has the molecular formula C8H16O3S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol
PubChem CID117237716
Molecular FormulaC8H16O3S2
Molecular Weight224.35 g/mol
Exact Mass224.05
IUPAC Name3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol
SMILESCS(=O)(=O)CC(CO)C1CCSC1
InChIInChI=1S/C8H16O3S2/c1-13(10,11)6-8(4-9)7-2-3-12-5-7/h7-9H,2-6H2,1H3
InChIKeyGZIITDLPSCFHKT-UHFFFAOYSA-N
XLogP0.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol?
The IUPAC name of 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol (CID 117237716) is 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol?
The canonical SMILES for 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol is CS(=O)(=O)CC(CO)C1CCSC1.
What is the InChIKey of 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol?
The InChIKey is GZIITDLPSCFHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S2/c1-13(10,11)6-8(4-9)7-2-3-12-5-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol?
3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-2-(thiolan-3-yl)propan-1-ol is sourced from PubChem (CID 117237716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).