methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate

C6H11N3O6S — CID 18736563

IUPACmethyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate
SMILESCOC(=O)NC(=NS(C)(=O)=O)NC(=O)OC
InChIInChI=1S/C6H11N3O6S/c1-14-5(10)7-4(8-6(11)15-2)9-16(3,12)13/h1-3H3,(H2,7,8,9,10,11)
InChIKeyXNJMWICSFOGICT-UHFFFAOYSA-N
MW253.24 g/mol
LogP-0.99
Rot. Bonds1

About methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate

methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate (PubChem CID 18736563) has the molecular formula C6H11N3O6S and a molecular weight of 253.24 g/mol. Its IUPAC name is methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate
PubChem CID18736563
Molecular FormulaC6H11N3O6S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Namemethyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate
SMILESCOC(=O)NC(=NS(C)(=O)=O)NC(=O)OC
InChIInChI=1S/C6H11N3O6S/c1-14-5(10)7-4(8-6(11)15-2)9-16(3,12)13/h1-3H3,(H2,7,8,9,10,11)
InChIKeyXNJMWICSFOGICT-UHFFFAOYSA-N
XLogP-0.99
TPSA123.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

chloro methanesulfinate;methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate
CID 90866834
methyl N'-methyl-N-[N'-methyl-N-(methylsulfonylcarbamoyl)carbamimidoyl]carbamimidate
CID 163424896

Frequently Asked Questions

What is the IUPAC name of methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate?
The IUPAC name of methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate (CID 18736563) is methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate.
What is the SMILES notation for methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate?
The canonical SMILES for methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate is COC(=O)NC(=NS(C)(=O)=O)NC(=O)OC.
What is the InChIKey of methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate?
The InChIKey is XNJMWICSFOGICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O6S/c1-14-5(10)7-4(8-6(11)15-2)9-16(3,12)13/h1-3H3,(H2,7,8,9,10,11).
What are the key properties of methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate?
methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate has a molecular weight of 253.24 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(N-methoxycarbonyl-N'-methylsulfonylcarbamimidoyl)carbamate is sourced from PubChem (CID 18736563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).