methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate

C6H9ClO4S — CID 119056804

IUPACmethyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C6H9ClO4S/c1-11-5(8)6(2-3-6)4-12(7,9)10/h2-4H2,1H3
InChIKeyLTJAEKFDGQPHKT-UHFFFAOYSA-N
MW212.65 g/mol
LogP0.51
Rot. Bonds3

About methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate

methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate (PubChem CID 119056804) has the molecular formula C6H9ClO4S and a molecular weight of 212.65 g/mol. Its IUPAC name is methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate
PubChem CID119056804
Molecular FormulaC6H9ClO4S
Molecular Weight212.65 g/mol
Exact Mass211.99
IUPAC Namemethyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C6H9ClO4S/c1-11-5(8)6(2-3-6)4-12(7,9)10/h2-4H2,1H3
InChIKeyLTJAEKFDGQPHKT-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 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate (CID 119056804) is methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate is COC(=O)C1(CS(=O)(=O)Cl)CC1.
What is the InChIKey of methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate?
The InChIKey is LTJAEKFDGQPHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO4S/c1-11-5(8)6(2-3-6)4-12(7,9)10/h2-4H2,1H3.
What are the key properties of methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate?
methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate 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 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 119056804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).