methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid

C5H12N2O8S2 — CID 86632793

IUPACmethyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid
SMILESCOC(=O)C1(OS(N)(=O)=O)CC1.NS(=O)(=O)O
InChIInChI=1S/C5H9NO5S.H3NO3S/c1-10-4(7)5(2-3-5)11-12(6,8)9;1-5(2,3)4/h2-3H2,1H3,(H2,6,8,9);(H3,1,2,3,4)
InChIKeyKCGRSSZVFFHTRR-UHFFFAOYSA-N
MW292.29 g/mol
LogP-2.34
Rot. Bonds3

About methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid

methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid (PubChem CID 86632793) has the molecular formula C5H12N2O8S2 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid.

Molecular Properties

Compound Namemethyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid
PubChem CID86632793
Molecular FormulaC5H12N2O8S2
Molecular Weight292.29 g/mol
Exact Mass292.00
IUPAC Namemethyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid
SMILESCOC(=O)C1(OS(N)(=O)=O)CC1.NS(=O)(=O)O
InChIInChI=1S/C5H9NO5S.H3NO3S/c1-10-4(7)5(2-3-5)11-12(6,8)9;1-5(2,3)4/h2-3H2,1H3,(H2,6,8,9);(H3,1,2,3,4)
InChIKeyKCGRSSZVFFHTRR-UHFFFAOYSA-N
XLogP-2.34
TPSA176.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid?
The IUPAC name of methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid (CID 86632793) is methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid.
What is the SMILES notation for methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid?
The canonical SMILES for methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid is COC(=O)C1(OS(N)(=O)=O)CC1.NS(=O)(=O)O.
What is the InChIKey of methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid?
The InChIKey is KCGRSSZVFFHTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5S.H3NO3S/c1-10-4(7)5(2-3-5)11-12(6,8)9;1-5(2,3)4/h2-3H2,1H3,(H2,6,8,9);(H3,1,2,3,4).
What are the key properties of methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid?
methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid has a molecular weight of 292.29 g/mol, XLogP of -2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-sulfamoyloxycyclopropane-1-carboxylate;sulfamic acid is sourced from PubChem (CID 86632793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).