N-methylsulfonylmethanesulfonimidic acid

C2H7NO4S2 — CID 58300652

IUPACN-methylsulfonylmethanesulfonimidic acid
SMILESCS(=O)(=O)N=S(C)(=O)O
InChIInChI=1S/C2H7NO4S2/c1-8(4,5)3-9(2,6)7/h1-2H3,(H,3,4,5)
InChIKeyBJQKJLRYPNTPDV-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.48
Rot. Bonds1

About N-methylsulfonylmethanesulfonimidic acid

N-methylsulfonylmethanesulfonimidic acid (PubChem CID 58300652) has the molecular formula C2H7NO4S2 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-methylsulfonylmethanesulfonimidic acid.

Molecular Properties

Compound NameN-methylsulfonylmethanesulfonimidic acid
PubChem CID58300652
Molecular FormulaC2H7NO4S2
Molecular Weight173.21 g/mol
Exact Mass172.98
IUPAC NameN-methylsulfonylmethanesulfonimidic acid
SMILESCS(=O)(=O)N=S(C)(=O)O
InChIInChI=1S/C2H7NO4S2/c1-8(4,5)3-9(2,6)7/h1-2H3,(H,3,4,5)
InChIKeyBJQKJLRYPNTPDV-UHFFFAOYSA-N
XLogP-0.48
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonylmethanesulfonimidic acid?
The IUPAC name of N-methylsulfonylmethanesulfonimidic acid (CID 58300652) is N-methylsulfonylmethanesulfonimidic acid.
What is the SMILES notation for N-methylsulfonylmethanesulfonimidic acid?
The canonical SMILES for N-methylsulfonylmethanesulfonimidic acid is CS(=O)(=O)N=S(C)(=O)O.
What is the InChIKey of N-methylsulfonylmethanesulfonimidic acid?
The InChIKey is BJQKJLRYPNTPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4S2/c1-8(4,5)3-9(2,6)7/h1-2H3,(H,3,4,5).
What are the key properties of N-methylsulfonylmethanesulfonimidic acid?
N-methylsulfonylmethanesulfonimidic acid has a molecular weight of 173.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylmethanesulfonimidic acid is sourced from PubChem (CID 58300652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).