methylsulfonylmethane;pyrrolidin-2-one

C6H13NO3S — CID 70523529

IUPACmethylsulfonylmethane;pyrrolidin-2-one
SMILESCS(C)(=O)=O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H6O2S/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1-2H3
InChIKeyCTQMTTUCQOPORH-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.44
Rot. Bonds

About methylsulfonylmethane;pyrrolidin-2-one

methylsulfonylmethane;pyrrolidin-2-one (PubChem CID 70523529) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is methylsulfonylmethane;pyrrolidin-2-one.

Molecular Properties

Compound Namemethylsulfonylmethane;pyrrolidin-2-one
PubChem CID70523529
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Namemethylsulfonylmethane;pyrrolidin-2-one
SMILESCS(C)(=O)=O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H6O2S/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1-2H3
InChIKeyCTQMTTUCQOPORH-UHFFFAOYSA-N
XLogP-0.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methylsulfonylmethane;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethane;pyrrolidin-2-one?
The IUPAC name of methylsulfonylmethane;pyrrolidin-2-one (CID 70523529) is methylsulfonylmethane;pyrrolidin-2-one.
What is the SMILES notation for methylsulfonylmethane;pyrrolidin-2-one?
The canonical SMILES for methylsulfonylmethane;pyrrolidin-2-one is CS(C)(=O)=O.O=C1CCCN1.
What is the InChIKey of methylsulfonylmethane;pyrrolidin-2-one?
The InChIKey is CTQMTTUCQOPORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H6O2S/c6-4-2-1-3-5-4;1-5(2,3)4/h1-3H2,(H,5,6);1-2H3.
What are the key properties of methylsulfonylmethane;pyrrolidin-2-one?
methylsulfonylmethane;pyrrolidin-2-one has a molecular weight of 179.24 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethane;pyrrolidin-2-one is sourced from PubChem (CID 70523529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).