methyl N-[methoxy(methyl)sulfamoyl]carbamate

C4H10N2O5S — CID 114463076

IUPACmethyl N-[methoxy(methyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N(C)OC
InChIInChI=1S/C4H10N2O5S/c1-6(11-3)12(8,9)5-4(7)10-2/h1-3H3,(H,5,7)
InChIKeyAJIIZYBAMKJVMT-UHFFFAOYSA-N
MW198.20 g/mol
LogP-0.92
Rot. Bonds3

About methyl N-[methoxy(methyl)sulfamoyl]carbamate

methyl N-[methoxy(methyl)sulfamoyl]carbamate (PubChem CID 114463076) has the molecular formula C4H10N2O5S and a molecular weight of 198.20 g/mol. Its IUPAC name is methyl N-[methoxy(methyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[methoxy(methyl)sulfamoyl]carbamate
PubChem CID114463076
Molecular FormulaC4H10N2O5S
Molecular Weight198.20 g/mol
Exact Mass198.03
IUPAC Namemethyl N-[methoxy(methyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)N(C)OC
InChIInChI=1S/C4H10N2O5S/c1-6(11-3)12(8,9)5-4(7)10-2/h1-3H3,(H,5,7)
InChIKeyAJIIZYBAMKJVMT-UHFFFAOYSA-N
XLogP-0.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate
CID 114466253
methyl N-[2-hydroxyethyl(propyl)sulfamoyl]carbamate
CID 114464146
methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate
CID 114466563
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
methyl N-[(2-bromocyclohexyl)-methylsulfamoyl]carbamate
CID 102638603
methyl N-[(2-amino-2-sulfanylideneethyl)-propan-2-ylsulfamoyl]carbamate
CID 114463668
methyl N-[[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-methylsulfamoyl]carbamate
CID 114465981
methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466862
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328
methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600

Frequently Asked Questions

What is the IUPAC name of methyl N-[methoxy(methyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[methoxy(methyl)sulfamoyl]carbamate (CID 114463076) is methyl N-[methoxy(methyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[methoxy(methyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[methoxy(methyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)N(C)OC.
What is the InChIKey of methyl N-[methoxy(methyl)sulfamoyl]carbamate?
The InChIKey is AJIIZYBAMKJVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O5S/c1-6(11-3)12(8,9)5-4(7)10-2/h1-3H3,(H,5,7).
What are the key properties of methyl N-[methoxy(methyl)sulfamoyl]carbamate?
methyl N-[methoxy(methyl)sulfamoyl]carbamate has a molecular weight of 198.20 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[methoxy(methyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).