2-methylsulfonylpropane

C8H20O4S2 — CID 163990602

IUPAC2-methylsulfonylpropane
SMILESCC(C)S(C)(=O)=O.CC(C)S(C)(=O)=O
InChIInChI=1S/2C4H10O2S/c2*1-4(2)7(3,5)6/h2*4H,1-3H3
InChIKeyUAHLODCNBPBEPB-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.88
Rot. Bonds2

About 2-methylsulfonylpropane

2-methylsulfonylpropane (PubChem CID 163990602) has the molecular formula C8H20O4S2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methylsulfonylpropane.

Molecular Properties

Compound Name2-methylsulfonylpropane
PubChem CID163990602
Molecular FormulaC8H20O4S2
Molecular Weight244.38 g/mol
Exact Mass244.08
IUPAC Name2-methylsulfonylpropane
SMILESCC(C)S(C)(=O)=O.CC(C)S(C)(=O)=O
InChIInChI=1S/2C4H10O2S/c2*1-4(2)7(3,5)6/h2*4H,1-3H3
InChIKeyUAHLODCNBPBEPB-UHFFFAOYSA-N
XLogP0.88
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfonylpropane with MolForge

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

Launch Full Analysis

Related Compounds

CID 160921753
CID 160921753
bis(3-methylbutan-2-one);bis(2-methylsulfonylpropane)
CID 158863389
imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
CID 165047245
1-bromo-1-methylsulfonylethane
CID 87262081
dibromo(methylsulfonyl)methane
CID 13296766
3-methylsulfonylbutan-2-ol
CID 13461367
sodium propane-2-sulfonic acid
CID 23363435
nickel(2+);bis(propane-2-sulfonate)
CID 18692784
(2R)-2-methylsulfonylpropan-1-amine
CID 87577997
sulfuric acid;tetramethylphosphanium
CID 87132357
N'-methylsulfonylpropane-2-sulfonohydrazide
CID 57300851
4-methylsulfonylpentan-2-amine
CID 64703768

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylpropane?
The IUPAC name of 2-methylsulfonylpropane (CID 163990602) is 2-methylsulfonylpropane.
What is the SMILES notation for 2-methylsulfonylpropane?
The canonical SMILES for 2-methylsulfonylpropane is CC(C)S(C)(=O)=O.CC(C)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylpropane?
The InChIKey is UAHLODCNBPBEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O2S/c2*1-4(2)7(3,5)6/h2*4H,1-3H3.
What are the key properties of 2-methylsulfonylpropane?
2-methylsulfonylpropane has a molecular weight of 244.38 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylpropane is sourced from PubChem (CID 163990602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).