(methylsulfonylsulfonylamino)methane

C2H7NO4S2 — CID 54011283

IUPAC(methylsulfonylsulfonylamino)methane
SMILESCNS(=O)(=O)S(C)(=O)=O
InChIInChI=1S/C2H7NO4S2/c1-3-9(6,7)8(2,4)5/h3H,1-2H3
InChIKeyKLANKJGBERJTJR-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.50
Rot. Bonds2

About (methylsulfonylsulfonylamino)methane

(methylsulfonylsulfonylamino)methane (PubChem CID 54011283) has the molecular formula C2H7NO4S2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (methylsulfonylsulfonylamino)methane.

Molecular Properties

Compound Name(methylsulfonylsulfonylamino)methane
PubChem CID54011283
Molecular FormulaC2H7NO4S2
Molecular Weight173.22 g/mol
Exact Mass172.98
IUPAC Name(methylsulfonylsulfonylamino)methane
SMILESCNS(=O)(=O)S(C)(=O)=O
InChIInChI=1S/C2H7NO4S2/c1-3-9(6,7)8(2,4)5/h3H,1-2H3
InChIKeyKLANKJGBERJTJR-UHFFFAOYSA-N
XLogP-1.50
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (methylsulfonylsulfonylamino)methane?
The IUPAC name of (methylsulfonylsulfonylamino)methane (CID 54011283) is (methylsulfonylsulfonylamino)methane.
What is the SMILES notation for (methylsulfonylsulfonylamino)methane?
The canonical SMILES for (methylsulfonylsulfonylamino)methane is CNS(=O)(=O)S(C)(=O)=O.
What is the InChIKey of (methylsulfonylsulfonylamino)methane?
The InChIKey is KLANKJGBERJTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4S2/c1-3-9(6,7)8(2,4)5/h3H,1-2H3.
What are the key properties of (methylsulfonylsulfonylamino)methane?
(methylsulfonylsulfonylamino)methane has a molecular weight of 173.22 g/mol, XLogP of -1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (methylsulfonylsulfonylamino)methane is sourced from PubChem (CID 54011283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).