methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate

C10H16O6S — CID 5003631

IUPACmethyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
SMILESCOC(=O)CC1CS(=O)(=O)CC1CC(=O)OC
InChIInChI=1S/C10H16O6S/c1-15-9(11)3-7-5-17(13,14)6-8(7)4-10(12)16-2/h7-8H,3-6H2,1-2H3
InChIKeyHIESNQRDMGFRDQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP-0.23
Rot. Bonds4

About methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate

methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate (PubChem CID 5003631) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
PubChem CID5003631
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
SMILESCOC(=O)CC1CS(=O)(=O)CC1CC(=O)OC
InChIInChI=1S/C10H16O6S/c1-15-9(11)3-7-5-17(13,14)6-8(7)4-10(12)16-2/h7-8H,3-6H2,1-2H3
InChIKeyHIESNQRDMGFRDQ-UHFFFAOYSA-N
XLogP-0.23
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl (1,1-dioxidotetrahydrothien-3-yl)malonate
CID 290012
Diethyl 2-{4-[2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl]-1,1-dioxidotetrahydro-3-thienyl}malonate
CID 3799111
Methyl 1-(1-methoxycarbonylcyclopentyl)sulfonylcyclopentane-1-carboxylate
CID 2303880
Methyl 2-(1,1-dioxo-1lambda6-thiolan-3-yl)acetate
CID 290011
Ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxobutanoate
CID 3113638
tetraethyl 2,2'-((3S,4S)-1,1-dioxidotetrahydrothiophene-3,4-diyl)dimalonate
CID 658020
methyl [(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetate
CID 7116288
2-[2,5-Bis(methoxycarbonyl)thiolan-3-yl]-1,1-difluoroethanesulfonic acid
CID 89883839
Diethyl 1,1-dioxothiolane-2,5-dicarboxylate
CID 12379700
diethyl (2S,5R)-1,1-dioxothiolane-2,5-dicarboxylate
CID 12379701
2-methylpropyl 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 165416229
methyl (2S,3R)-3-ethyl-1,1-dioxothiane-2-carboxylate
CID 101497185

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate (CID 5003631) is methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate is COC(=O)CC1CS(=O)(=O)CC1CC(=O)OC.
What is the InChIKey of methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate?
The InChIKey is HIESNQRDMGFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6S/c1-15-9(11)3-7-5-17(13,14)6-8(7)4-10(12)16-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate?
methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate has a molecular weight of 264.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate is sourced from PubChem (CID 5003631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).