1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane

C10H22O4S2 — CID 12835611

IUPAC1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane
SMILESCC(C)(C)CS(=O)(=O)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22O4S2/c1-9(2,3)7-15(11,12)16(13,14)8-10(4,5)6/h7-8H2,1-6H3
InChIKeyOOFZSXVZUHFMJO-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.82
Rot. Bonds3

About 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane

1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane (PubChem CID 12835611) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane
PubChem CID12835611
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane
SMILESCC(C)(C)CS(=O)(=O)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22O4S2/c1-9(2,3)7-15(11,12)16(13,14)8-10(4,5)6/h7-8H2,1-6H3
InChIKeyOOFZSXVZUHFMJO-UHFFFAOYSA-N
XLogP1.82
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane 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 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane?
The IUPAC name of 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane (CID 12835611) is 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane is CC(C)(C)CS(=O)(=O)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane?
The InChIKey is OOFZSXVZUHFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c1-9(2,3)7-15(11,12)16(13,14)8-10(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane?
1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane has a molecular weight of 270.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonylsulfonyl)-2,2-dimethylpropane is sourced from PubChem (CID 12835611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).