methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate

C11H18O6S2 — CID 107776619

IUPACmethyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H18O6S2/c1-17-10(12)6-11(3-4-11)8-19(15,16)9-2-5-18(13,14)7-9/h9H,2-8H2,1H3
InChIKeyYZAVBAUTQZQLCS-UHFFFAOYSA-N
MW310.39 g/mol
LogP-0.07
Rot. Bonds5

About methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate (PubChem CID 107776619) has the molecular formula C11H18O6S2 and a molecular weight of 310.39 g/mol. Its IUPAC name is methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
PubChem CID107776619
Molecular FormulaC11H18O6S2
Molecular Weight310.39 g/mol
Exact Mass310.05
IUPAC Namemethyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C11H18O6S2/c1-17-10(12)6-11(3-4-11)8-19(15,16)9-2-5-18(13,14)7-9/h9H,2-8H2,1H3
InChIKeyYZAVBAUTQZQLCS-UHFFFAOYSA-N
XLogP-0.07
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate (CID 107776619) is methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate?
The InChIKey is YZAVBAUTQZQLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6S2/c1-17-10(12)6-11(3-4-11)8-19(15,16)9-2-5-18(13,14)7-9/h9H,2-8H2,1H3.
What are the key properties of methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate has a molecular weight of 310.39 g/mol, XLogP of -0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107776619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).