[chlorosulfonylsulfonyl(methyl)amino]methane

C2H6ClNO4S2 — CID 87508798

IUPAC[chlorosulfonylsulfonyl(methyl)amino]methane
SMILESCN(C)S(=O)(=O)S(=O)(=O)Cl
InChIInChI=1S/C2H6ClNO4S2/c1-4(2)10(7,8)9(3,5)6/h1-2H3
InChIKeyLUYWOSSOHFNRSP-UHFFFAOYSA-N
MW207.66 g/mol
LogP-0.64
Rot. Bonds2

About [chlorosulfonylsulfonyl(methyl)amino]methane

[chlorosulfonylsulfonyl(methyl)amino]methane (PubChem CID 87508798) has the molecular formula C2H6ClNO4S2 and a molecular weight of 207.66 g/mol. Its IUPAC name is [chlorosulfonylsulfonyl(methyl)amino]methane.

Molecular Properties

Compound Name[chlorosulfonylsulfonyl(methyl)amino]methane
PubChem CID87508798
Molecular FormulaC2H6ClNO4S2
Molecular Weight207.66 g/mol
Exact Mass206.94
IUPAC Name[chlorosulfonylsulfonyl(methyl)amino]methane
SMILESCN(C)S(=O)(=O)S(=O)(=O)Cl
InChIInChI=1S/C2H6ClNO4S2/c1-4(2)10(7,8)9(3,5)6/h1-2H3
InChIKeyLUYWOSSOHFNRSP-UHFFFAOYSA-N
XLogP-0.64
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
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 [chlorosulfonylsulfonyl(methyl)amino]methane?
The IUPAC name of [chlorosulfonylsulfonyl(methyl)amino]methane (CID 87508798) is [chlorosulfonylsulfonyl(methyl)amino]methane.
What is the SMILES notation for [chlorosulfonylsulfonyl(methyl)amino]methane?
The canonical SMILES for [chlorosulfonylsulfonyl(methyl)amino]methane is CN(C)S(=O)(=O)S(=O)(=O)Cl.
What is the InChIKey of [chlorosulfonylsulfonyl(methyl)amino]methane?
The InChIKey is LUYWOSSOHFNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClNO4S2/c1-4(2)10(7,8)9(3,5)6/h1-2H3.
What are the key properties of [chlorosulfonylsulfonyl(methyl)amino]methane?
[chlorosulfonylsulfonyl(methyl)amino]methane has a molecular weight of 207.66 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chlorosulfonylsulfonyl(methyl)amino]methane is sourced from PubChem (CID 87508798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).