methyl 1-sulfamoyloxycyclopropane-1-carboxylate

C5H9NO5S — CID 57445152

IUPACmethyl 1-sulfamoyloxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(OS(N)(=O)=O)CC1
InChIInChI=1S/C5H9NO5S/c1-10-4(7)5(2-3-5)11-12(6,8)9/h2-3H2,1H3,(H2,6,8,9)
InChIKeyVNTZBAYDQSJACB-UHFFFAOYSA-N
MW195.20 g/mol
LogP-1.09
Rot. Bonds3

About methyl 1-sulfamoyloxycyclopropane-1-carboxylate

methyl 1-sulfamoyloxycyclopropane-1-carboxylate (PubChem CID 57445152) has the molecular formula C5H9NO5S and a molecular weight of 195.20 g/mol. Its IUPAC name is methyl 1-sulfamoyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-sulfamoyloxycyclopropane-1-carboxylate
PubChem CID57445152
Molecular FormulaC5H9NO5S
Molecular Weight195.20 g/mol
Exact Mass195.02
IUPAC Namemethyl 1-sulfamoyloxycyclopropane-1-carboxylate
SMILESCOC(=O)C1(OS(N)(=O)=O)CC1
InChIInChI=1S/C5H9NO5S/c1-10-4(7)5(2-3-5)11-12(6,8)9/h2-3H2,1H3,(H2,6,8,9)
InChIKeyVNTZBAYDQSJACB-UHFFFAOYSA-N
XLogP-1.09
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-sulfamoyloxycyclopropane-1-carboxylate?
The IUPAC name of methyl 1-sulfamoyloxycyclopropane-1-carboxylate (CID 57445152) is methyl 1-sulfamoyloxycyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-sulfamoyloxycyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-sulfamoyloxycyclopropane-1-carboxylate is COC(=O)C1(OS(N)(=O)=O)CC1.
What is the InChIKey of methyl 1-sulfamoyloxycyclopropane-1-carboxylate?
The InChIKey is VNTZBAYDQSJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5S/c1-10-4(7)5(2-3-5)11-12(6,8)9/h2-3H2,1H3,(H2,6,8,9).
What are the key properties of methyl 1-sulfamoyloxycyclopropane-1-carboxylate?
methyl 1-sulfamoyloxycyclopropane-1-carboxylate has a molecular weight of 195.20 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-sulfamoyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 57445152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).