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

C9H15NO3S — CID 11127709

IUPAC(4R)-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-/m0/s1
InChIKeyHOQQKZGIFYLYBA-ZETCQYMHSA-N
MW217.29 g/mol
LogP1.35
Rot. Bonds3

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

(4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11127709) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is (4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11127709
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name(4R)-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-/m0/s1
InChIKeyHOQQKZGIFYLYBA-ZETCQYMHSA-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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Related Compounds

4-Isopropyl-3-propionyl-2-oxazolidinone
CID 190974
(4R)-3-Propanoyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 643512
(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone
CID 853160
N-acetyl-(4s)-isopropyl 2-oxazolidinone
CID 11126719
(4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11424489
3-Acetyl-4-isopropyloxazolidin-2-one
CID 5323935
(4R)-3-acetyl-4-propan-2-yl-2-oxazolidinone
CID 15939087
(4S)-4-propan-2-yl-3-[(3R)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 15891663
(4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 134920411
(3S)-3-propan-2-yl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]oxazol-5-one
CID 134946372
3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one
CID 164674983
3-(2-Methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
CID 143124051

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11127709) is (4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-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 (4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HOQQKZGIFYLYBA-ZETCQYMHSA-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-/m0/s1.
What are the key properties of (4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-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 (4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11127709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).