methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate

C10H16O5S — CID 135015792

IUPACmethyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate
SMILESCCC[C@]1(CC(=O)OC)C(=O)CCS1(=O)=O
InChIInChI=1S/C10H16O5S/c1-3-5-10(7-9(12)15-2)8(11)4-6-16(10,13)14/h3-7H2,1-2H3/t10-/m0/s1
InChIKeyCXSKKNSFNCKFFI-JTQLQIEISA-N
MW248.30 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate

methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate (PubChem CID 135015792) has the molecular formula C10H16O5S and a molecular weight of 248.30 g/mol. Its IUPAC name is methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate
PubChem CID135015792
Molecular FormulaC10H16O5S
Molecular Weight248.30 g/mol
Exact Mass248.07
IUPAC Namemethyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate
SMILESCCC[C@]1(CC(=O)OC)C(=O)CCS1(=O)=O
InChIInChI=1S/C10H16O5S/c1-3-5-10(7-9(12)15-2)8(11)4-6-16(10,13)14/h3-7H2,1-2H3/t10-/m0/s1
InChIKeyCXSKKNSFNCKFFI-JTQLQIEISA-N
XLogP0.48
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[(2S)-3-oxo-2-propylthiolan-2-yl]acetate
CID 135016374
methyl 2-[(2R)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate
CID 135055432
methyl 2-[(2R)-3-oxo-2-propylthiolan-2-yl]acetate
CID 135056431
Methyl 3-(1,1-dioxothiolan-3-yl)-2-fluoropropanoate
CID 105481724
Methyl 3-(4-fluoro-1,1-dioxothiolan-3-yl)propanoate
CID 105530030
methyl 3-[(3R,4S)-4-fluoro-1,1-dioxothiolan-3-yl]propanoate
CID 105531120
methyl 3-[(3S,4S)-4-fluoro-1,1-dioxothiolan-3-yl]propanoate
CID 105531350
Methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 5003631
3-Methylsulfonyl-5,5-dipropyloxolan-2-one
CID 85953732
(4S)-3-methylsulfonyl-4-propyloxolan-2-one
CID 146281489
(1,1-Dioxothiolan-3-yl) 2-methylhexanoate
CID 156331040
(4S)-3-methylsulfonyl-4-propyloxolan-2-one;sulfane
CID 157237896

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate (CID 135015792) is methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate is CCC[C@]1(CC(=O)OC)C(=O)CCS1(=O)=O.
What is the InChIKey of methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate?
The InChIKey is CXSKKNSFNCKFFI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O5S/c1-3-5-10(7-9(12)15-2)8(11)4-6-16(10,13)14/h3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate?
methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate has a molecular weight of 248.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-1,1,3-trioxo-2-propylthiolan-2-yl]acetate is sourced from PubChem (CID 135015792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).