4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one

C9H15NO2S — CID 105453841

IUPAC4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one
SMILESCC1(C2CCSCC2)COC(=O)N1
InChIInChI=1S/C9H15NO2S/c1-9(6-12-8(11)10-9)7-2-4-13-5-3-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyLCLOSGCQVDVLTB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.63
Rot. Bonds1

About 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one

4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one (PubChem CID 105453841) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one
PubChem CID105453841
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one
SMILESCC1(C2CCSCC2)COC(=O)N1
InChIInChI=1S/C9H15NO2S/c1-9(6-12-8(11)10-9)7-2-4-13-5-3-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyLCLOSGCQVDVLTB-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one (CID 105453841) is 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one is CC1(C2CCSCC2)COC(=O)N1.
What is the InChIKey of 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is LCLOSGCQVDVLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(6-12-8(11)10-9)7-2-4-13-5-3-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one?
4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 201.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(thian-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 105453841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).