(4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C9H15NO3S — CID 11424489

IUPAC(4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H15NO3S/c1-6(2)7-4-13-9(12)10(7)8(11)5-14-3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyHOQQKZGIFYLYBA-SSDOTTSWSA-N
MW217.29 g/mol
LogP1.35
Rot. Bonds3

About (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11424489) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11424489
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name(4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCSCC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H15NO3S/c1-6(2)7-4-13-9(12)10(7)8(11)5-14-3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyHOQQKZGIFYLYBA-SSDOTTSWSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11424489) is (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CSCC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HOQQKZGIFYLYBA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-6(2)7-4-13-9(12)10(7)8(11)5-14-3/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 217.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11424489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).