sulfamoylsulfonylmethane

CH5NO4S2 — CID 23135099

IUPACsulfamoylsulfonylmethane
SMILESCS(=O)(=O)S(N)(=O)=O
InChIInChI=1S/CH5NO4S2/c1-7(3,4)8(2,5)6/h1H3,(H2,2,5,6)
InChIKeyAFFMVVPKYKMWDV-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.77
Rot. Bonds1

About sulfamoylsulfonylmethane

sulfamoylsulfonylmethane (PubChem CID 23135099) has the molecular formula CH5NO4S2 and a molecular weight of 159.19 g/mol. Its IUPAC name is sulfamoylsulfonylmethane.

Molecular Properties

Compound Namesulfamoylsulfonylmethane
PubChem CID23135099
Molecular FormulaCH5NO4S2
Molecular Weight159.19 g/mol
Exact Mass158.97
IUPAC Namesulfamoylsulfonylmethane
SMILESCS(=O)(=O)S(N)(=O)=O
InChIInChI=1S/CH5NO4S2/c1-7(3,4)8(2,5)6/h1H3,(H2,2,5,6)
InChIKeyAFFMVVPKYKMWDV-UHFFFAOYSA-N
XLogP-1.77
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.77
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 sulfamoylsulfonylmethane?
The IUPAC name of sulfamoylsulfonylmethane (CID 23135099) is sulfamoylsulfonylmethane.
What is the SMILES notation for sulfamoylsulfonylmethane?
The canonical SMILES for sulfamoylsulfonylmethane is CS(=O)(=O)S(N)(=O)=O.
What is the InChIKey of sulfamoylsulfonylmethane?
The InChIKey is AFFMVVPKYKMWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO4S2/c1-7(3,4)8(2,5)6/h1H3,(H2,2,5,6).
What are the key properties of sulfamoylsulfonylmethane?
sulfamoylsulfonylmethane has a molecular weight of 159.19 g/mol, XLogP of -1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoylsulfonylmethane is sourced from PubChem (CID 23135099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).