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

C9H17NO3S — CID 143124051

IUPAC3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
SMILESCCC.CSCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO3S.C3H8/c1-11-4-5(8)7-2-3-10-6(7)9;1-3-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyUQJMVLCLNZJTQH-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.74
Rot. Bonds2

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

3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane (PubChem CID 143124051) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane.

Molecular Properties

Compound Name3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
PubChem CID143124051
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
SMILESCCC.CSCC(=O)N1CCOC1=O
InChIInChI=1S/C6H9NO3S.C3H8/c1-11-4-5(8)7-2-3-10-6(7)9;1-3-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyUQJMVLCLNZJTQH-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane?
The IUPAC name of 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane (CID 143124051) is 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane.
What is the SMILES notation for 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane?
The canonical SMILES for 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane is CCC.CSCC(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane?
The InChIKey is UQJMVLCLNZJTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S.C3H8/c1-11-4-5(8)7-2-3-10-6(7)9;1-3-2/h2-4H2,1H3;3H2,1-2H3.
What are the key properties of 3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane?
3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane has a molecular weight of 219.31 g/mol, XLogP of 1.74, 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;propane is sourced from PubChem (CID 143124051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).