4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one

C9H15NO3S — CID 115102459

IUPAC4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CO)N1CC1CCCS1
InChIInChI=1S/C9H15NO3S/c11-5-7-6-13-9(12)10(7)4-8-2-1-3-14-8/h7-8,11H,1-6H2
InChIKeyXWGKKWPMSXKKPR-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.70
Rot. Bonds3

About 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one

4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 115102459) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID115102459
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(CO)N1CC1CCCS1
InChIInChI=1S/C9H15NO3S/c11-5-7-6-13-9(12)10(7)4-8-2-1-3-14-8/h7-8,11H,1-6H2
InChIKeyXWGKKWPMSXKKPR-UHFFFAOYSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102486
4-(hydroxymethyl)-3-(thiolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102359
4-(hydroxymethyl)-3-(oxolan-3-ylmethyl)-1,3-oxazolidin-2-one
CID 115102357
3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115102503
3-cyclopropyl-3,6-dimethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587066
7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one
CID 22985312
4-(hydroxymethyl)-3-(oxolan-2-yl)-1,3-oxazolidin-2-one
CID 115102416
3-cyclopropyl-6-ethyl-3-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586911
5-(hydroxymethyl)-4-(thian-3-ylmethyl)morpholin-3-one
CID 115102759
3-methyl-2-(thiolan-2-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 80587069
3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
3-cyclopropyl-3,6-dimethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80613039

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one (CID 115102459) is 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1OCC(CO)N1CC1CCCS1.
What is the InChIKey of 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is XWGKKWPMSXKKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-5-7-6-13-9(12)10(7)4-8-2-1-3-14-8/h7-8,11H,1-6H2.
What are the key properties of 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 217.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(thiolan-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115102459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).