N-methyl-N-sulfonatosulfamate

CH3NO6S2-2 — CID 5258384

IUPACN-methyl-N-sulfonatosulfamate
SMILESCN(S(=O)(=O)[O-])S(=O)(=O)[O-]
InChIInChI=1S/CH5NO6S2/c1-2(9(3,4)5)10(6,7)8/h1H3,(H,3,4,5)(H,6,7,8)/p-2
InChIKeyIRTWRLMLZOLYDE-UHFFFAOYSA-L
MW189.17 g/mol
LogP-2.16
Rot. Bonds2

About N-methyl-N-sulfonatosulfamate

N-methyl-N-sulfonatosulfamate (PubChem CID 5258384) has the molecular formula CH3NO6S2-2 and a molecular weight of 189.17 g/mol. Its IUPAC name is N-methyl-N-sulfonatosulfamate.

Molecular Properties

Compound NameN-methyl-N-sulfonatosulfamate
PubChem CID5258384
Molecular FormulaCH3NO6S2-2
Molecular Weight189.17 g/mol
Exact Mass188.94
IUPAC NameN-methyl-N-sulfonatosulfamate
SMILESCN(S(=O)(=O)[O-])S(=O)(=O)[O-]
InChIInChI=1S/CH5NO6S2/c1-2(9(3,4)5)10(6,7)8/h1H3,(H,3,4,5)(H,6,7,8)/p-2
InChIKeyIRTWRLMLZOLYDE-UHFFFAOYSA-L
XLogP-2.16
TPSA117.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-sulfonatosulfamate?
The IUPAC name of N-methyl-N-sulfonatosulfamate (CID 5258384) is N-methyl-N-sulfonatosulfamate.
What is the SMILES notation for N-methyl-N-sulfonatosulfamate?
The canonical SMILES for N-methyl-N-sulfonatosulfamate is CN(S(=O)(=O)[O-])S(=O)(=O)[O-].
What is the InChIKey of N-methyl-N-sulfonatosulfamate?
The InChIKey is IRTWRLMLZOLYDE-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5NO6S2/c1-2(9(3,4)5)10(6,7)8/h1H3,(H,3,4,5)(H,6,7,8)/p-2.
What are the key properties of N-methyl-N-sulfonatosulfamate?
N-methyl-N-sulfonatosulfamate has a molecular weight of 189.17 g/mol, XLogP of -2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-sulfonatosulfamate is sourced from PubChem (CID 5258384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).