5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one

C9H15NO2S — CID 117158944

IUPAC5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one
SMILESCC1(C2CCCCS2)CNC(=O)O1
InChIInChI=1S/C9H15NO2S/c1-9(6-10-8(11)12-9)7-4-2-3-5-13-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyQZAZMCDLURGQBQ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.77
Rot. Bonds1

About 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one

5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one (PubChem CID 117158944) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one
PubChem CID117158944
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one
SMILESCC1(C2CCCCS2)CNC(=O)O1
InChIInChI=1S/C9H15NO2S/c1-9(6-10-8(11)12-9)7-4-2-3-5-13-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyQZAZMCDLURGQBQ-UHFFFAOYSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one 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

5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one
CID 117158929
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
5-methyl-5-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 117158959
2-methyl-2-(thian-2-yl)piperidine
CID 117271242
(5'R)-8'-methylspiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 130291505
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
5-methyl-5-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 117158949
2-methyl-1-(thian-2-yl)cyclopropan-1-amine
CID 84654227
5-(chloromethyl)-5-methyl-1,3-oxazolidin-2-one
CID 14698772
5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one
CID 117158906
5-methyl-5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 117158969
(3,3-dimethylpiperazin-1-yl)-(thian-2-yl)methanone
CID 82993770

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one (CID 117158944) is 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one is CC1(C2CCCCS2)CNC(=O)O1.
What is the InChIKey of 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is QZAZMCDLURGQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(6-10-8(11)12-9)7-4-2-3-5-13-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one?
5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(thian-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).