N-methyl-N-[methyl(nitro)sulfamoyl]nitramide

C2H6N4O6S — CID 2843415

IUPACN-methyl-N-[methyl(nitro)sulfamoyl]nitramide
SMILESCN([N+](=O)[O-])S(=O)(=O)N(C)[N+](=O)[O-]
InChIInChI=1S/C2H6N4O6S/c1-3(5(7)8)13(11,12)4(2)6(9)10/h1-2H3
InChIKeyOBMNTPKFJIVIJR-UHFFFAOYSA-N
MW214.16 g/mol
LogP-1.52
Rot. Bonds4

About N-methyl-N-[methyl(nitro)sulfamoyl]nitramide

N-methyl-N-[methyl(nitro)sulfamoyl]nitramide (PubChem CID 2843415) has the molecular formula C2H6N4O6S and a molecular weight of 214.16 g/mol. Its IUPAC name is N-methyl-N-[methyl(nitro)sulfamoyl]nitramide.

Molecular Properties

Compound NameN-methyl-N-[methyl(nitro)sulfamoyl]nitramide
PubChem CID2843415
Molecular FormulaC2H6N4O6S
Molecular Weight214.16 g/mol
Exact Mass214.00
IUPAC NameN-methyl-N-[methyl(nitro)sulfamoyl]nitramide
SMILESCN([N+](=O)[O-])S(=O)(=O)N(C)[N+](=O)[O-]
InChIInChI=1S/C2H6N4O6S/c1-3(5(7)8)13(11,12)4(2)6(9)10/h1-2H3
InChIKeyOBMNTPKFJIVIJR-UHFFFAOYSA-N
XLogP-1.52
TPSA126.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[methyl(nitro)sulfamoyl]nitramide?
The IUPAC name of N-methyl-N-[methyl(nitro)sulfamoyl]nitramide (CID 2843415) is N-methyl-N-[methyl(nitro)sulfamoyl]nitramide.
What is the SMILES notation for N-methyl-N-[methyl(nitro)sulfamoyl]nitramide?
The canonical SMILES for N-methyl-N-[methyl(nitro)sulfamoyl]nitramide is CN([N+](=O)[O-])S(=O)(=O)N(C)[N+](=O)[O-].
What is the InChIKey of N-methyl-N-[methyl(nitro)sulfamoyl]nitramide?
The InChIKey is OBMNTPKFJIVIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4O6S/c1-3(5(7)8)13(11,12)4(2)6(9)10/h1-2H3.
What are the key properties of N-methyl-N-[methyl(nitro)sulfamoyl]nitramide?
N-methyl-N-[methyl(nitro)sulfamoyl]nitramide has a molecular weight of 214.16 g/mol, XLogP of -1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(nitro)sulfamoyl]nitramide is sourced from PubChem (CID 2843415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).