methyl 2-chlorosulfonyl-2-cyclopropylacetate

C6H9ClO4S — CID 138991376

IUPACmethyl 2-chlorosulfonyl-2-cyclopropylacetate
SMILESCOC(=O)C(C1CC1)S(=O)(=O)Cl
InChIInChI=1S/C6H9ClO4S/c1-11-6(8)5(4-2-3-4)12(7,9)10/h4-5H,2-3H2,1H3
InChIKeyGUBMBSUHMRKOIQ-UHFFFAOYSA-N
MW212.65 g/mol
LogP0.51
Rot. Bonds3

About methyl 2-chlorosulfonyl-2-cyclopropylacetate

methyl 2-chlorosulfonyl-2-cyclopropylacetate (PubChem CID 138991376) has the molecular formula C6H9ClO4S and a molecular weight of 212.65 g/mol. Its IUPAC name is methyl 2-chlorosulfonyl-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-chlorosulfonyl-2-cyclopropylacetate
PubChem CID138991376
Molecular FormulaC6H9ClO4S
Molecular Weight212.65 g/mol
Exact Mass211.99
IUPAC Namemethyl 2-chlorosulfonyl-2-cyclopropylacetate
SMILESCOC(=O)C(C1CC1)S(=O)(=O)Cl
InChIInChI=1S/C6H9ClO4S/c1-11-6(8)5(4-2-3-4)12(7,9)10/h4-5H,2-3H2,1H3
InChIKeyGUBMBSUHMRKOIQ-UHFFFAOYSA-N
XLogP0.51
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chlorosulfonyl-2-cyclopropylacetate?
The IUPAC name of methyl 2-chlorosulfonyl-2-cyclopropylacetate (CID 138991376) is methyl 2-chlorosulfonyl-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-chlorosulfonyl-2-cyclopropylacetate?
The canonical SMILES for methyl 2-chlorosulfonyl-2-cyclopropylacetate is COC(=O)C(C1CC1)S(=O)(=O)Cl.
What is the InChIKey of methyl 2-chlorosulfonyl-2-cyclopropylacetate?
The InChIKey is GUBMBSUHMRKOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO4S/c1-11-6(8)5(4-2-3-4)12(7,9)10/h4-5H,2-3H2,1H3.
What are the key properties of methyl 2-chlorosulfonyl-2-cyclopropylacetate?
methyl 2-chlorosulfonyl-2-cyclopropylacetate has a molecular weight of 212.65 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chlorosulfonyl-2-cyclopropylacetate is sourced from PubChem (CID 138991376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).