methylsulfonylmethylsulfonylmethanesulfonamide

C3H9NO6S3 — CID 87233062

IUPACmethylsulfonylmethylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C3H9NO6S3/c1-11(5,6)2-12(7,8)3-13(4,9)10/h2-3H2,1H3,(H2,4,9,10)
InChIKeyJWIJOYFXEOLLBO-UHFFFAOYSA-N
MW251.31 g/mol
LogP-2.35
Rot. Bonds4

About methylsulfonylmethylsulfonylmethanesulfonamide

methylsulfonylmethylsulfonylmethanesulfonamide (PubChem CID 87233062) has the molecular formula C3H9NO6S3 and a molecular weight of 251.31 g/mol. Its IUPAC name is methylsulfonylmethylsulfonylmethanesulfonamide.

Molecular Properties

Compound Namemethylsulfonylmethylsulfonylmethanesulfonamide
PubChem CID87233062
Molecular FormulaC3H9NO6S3
Molecular Weight251.31 g/mol
Exact Mass250.96
IUPAC Namemethylsulfonylmethylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C3H9NO6S3/c1-11(5,6)2-12(7,8)3-13(4,9)10/h2-3H2,1H3,(H2,4,9,10)
InChIKeyJWIJOYFXEOLLBO-UHFFFAOYSA-N
XLogP-2.35
TPSA128.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-2.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethylsulfonylmethanesulfonamide?
The IUPAC name of methylsulfonylmethylsulfonylmethanesulfonamide (CID 87233062) is methylsulfonylmethylsulfonylmethanesulfonamide.
What is the SMILES notation for methylsulfonylmethylsulfonylmethanesulfonamide?
The canonical SMILES for methylsulfonylmethylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)CS(N)(=O)=O.
What is the InChIKey of methylsulfonylmethylsulfonylmethanesulfonamide?
The InChIKey is JWIJOYFXEOLLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO6S3/c1-11(5,6)2-12(7,8)3-13(4,9)10/h2-3H2,1H3,(H2,4,9,10).
What are the key properties of methylsulfonylmethylsulfonylmethanesulfonamide?
methylsulfonylmethylsulfonylmethanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of -2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethylsulfonylmethanesulfonamide is sourced from PubChem (CID 87233062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).