methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate

C7H14N2O4S — CID 112581200

IUPACmethyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CCS(N)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-13-7(10)6-2-3-9(6)4-5-14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12)
InChIKeyCYWNCIPHDQMCDI-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.48
Rot. Bonds4

About methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate

methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate (PubChem CID 112581200) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate
PubChem CID112581200
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Namemethyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CCS(N)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-13-7(10)6-2-3-9(6)4-5-14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12)
InChIKeyCYWNCIPHDQMCDI-UHFFFAOYSA-N
XLogP-1.48
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate (CID 112581200) is methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate is COC(=O)C1CCN1CCS(N)(=O)=O.
What is the InChIKey of methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate?
The InChIKey is CYWNCIPHDQMCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-13-7(10)6-2-3-9(6)4-5-14(8,11)12/h6H,2-5H2,1H3,(H2,8,11,12).
What are the key properties of methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate?
methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate has a molecular weight of 222.27 g/mol, XLogP of -1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate is sourced from PubChem (CID 112581200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).