3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one

C6H9NO3S — CID 22178192

IUPAC3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one
SMILESCSCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO3S/c1-11-4-5(8)7-2-3-10-6(7)9/h2-4H2,1H3
InChIKeyPJTJGQOKEPGZMZ-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.33
Rot. Bonds2

About 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one

3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one (PubChem CID 22178192) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one
PubChem CID22178192
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one
SMILESCSCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO3S/c1-11-4-5(8)7-2-3-10-6(7)9/h2-4H2,1H3
InChIKeyPJTJGQOKEPGZMZ-UHFFFAOYSA-N
XLogP0.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (2,4-dioxo-1,3-thiazolidin-3-yl)acetate
CID 3151002
O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate
CID 11425203
3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 134995112
Ethyl 4-oxo-3-thiazolidinylacetate
CID 13853976
3-(2-Methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 20110322
3-(2-Sulfanylethyl)-1,3-oxazolidin-2-one
CID 20623592
Ethyl 2-oxo-1,3-thiazolidine-3-carboxylate
CID 45123075
3-Ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione
CID 57436913
3-(2-Methylsulfanylethyl)-1,3-oxazolidin-2-one
CID 123424307
3-(Propan-2-ylsulfanylmethyl)-1,3-oxazolidin-2-one
CID 126621124
3-(2-Ethylsulfanylethyl)-1,3-oxazolidin-2-one
CID 130297937
3-(1-Methylsulfanylethyl)-1,3-oxazolidin-2-one
CID 132046275

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one (CID 22178192) is 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one is CSCC(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one?
The InChIKey is PJTJGQOKEPGZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-11-4-5(8)7-2-3-10-6(7)9/h2-4H2,1H3.
What are the key properties of 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one?
3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one has a molecular weight of 175.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22178192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).