methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate

C5H12N2O5S — CID 88598116

IUPACmethyl N-(2-methoxyethyl)-N-sulfamoylcarbamate
SMILESCOCCN(C(=O)OC)S(N)(=O)=O
InChIInChI=1S/C5H12N2O5S/c1-11-4-3-7(5(8)12-2)13(6,9)10/h3-4H2,1-2H3,(H2,6,9,10)
InChIKeyDKFHFQAMLQPYAP-UHFFFAOYSA-N
MW212.23 g/mol
LogP-1.10
Rot. Bonds4

About methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate

methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate (PubChem CID 88598116) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-methoxyethyl)-N-sulfamoylcarbamate
PubChem CID88598116
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Namemethyl N-(2-methoxyethyl)-N-sulfamoylcarbamate
SMILESCOCCN(C(=O)OC)S(N)(=O)=O
InChIInChI=1S/C5H12N2O5S/c1-11-4-3-7(5(8)12-2)13(6,9)10/h3-4H2,1-2H3,(H2,6,9,10)
InChIKeyDKFHFQAMLQPYAP-UHFFFAOYSA-N
XLogP-1.10
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-methyl-N-sulfamoylcarbamate
CID 88598186
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
2-methoxyethyl(sulfo)sulfamic acid
CID 15889416
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
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3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
ethyl N-methoxy-N-(2-methoxyethyl)carbamate
CID 45122902
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
2-hydrazinyl-N,N-bis(2-methoxyethyl)-2-oxoacetamide
CID 61418318
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
3-[2-methoxyethyl(propyl)amino]propanoic acid
CID 82328080
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate?
The IUPAC name of methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate (CID 88598116) is methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate.
What is the SMILES notation for methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate?
The canonical SMILES for methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate is COCCN(C(=O)OC)S(N)(=O)=O.
What is the InChIKey of methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate?
The InChIKey is DKFHFQAMLQPYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c1-11-4-3-7(5(8)12-2)13(6,9)10/h3-4H2,1-2H3,(H2,6,9,10).
What are the key properties of methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate?
methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate has a molecular weight of 212.23 g/mol, XLogP of -1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methoxyethyl)-N-sulfamoylcarbamate is sourced from PubChem (CID 88598116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).