1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane

C10H22O3S2 — CID 551399

IUPAC1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane
SMILESCC(C)(C)CS(=O)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22O3S2/c1-9(2,3)7-14(11)15(12,13)8-10(4,5)6/h7-8H2,1-6H3
InChIKeyHNSAPVVECVPGEU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.16
Rot. Bonds3

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

1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane (PubChem CID 551399) has the molecular formula C10H22O3S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane
PubChem CID551399
Molecular FormulaC10H22O3S2
Molecular Weight254.42 g/mol
Exact Mass254.10
IUPAC Name1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane
SMILESCC(C)(C)CS(=O)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H22O3S2/c1-9(2,3)7-14(11)15(12,13)8-10(4,5)6/h7-8H2,1-6H3
InChIKeyHNSAPVVECVPGEU-UHFFFAOYSA-N
XLogP2.16
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,2-dimethylpropylsulfonylsulfinyl)-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-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane?
The IUPAC name of 1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane (CID 551399) is 1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane.
What is the SMILES notation for 1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane?
The canonical SMILES for 1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane is CC(C)(C)CS(=O)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane?
The InChIKey is HNSAPVVECVPGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S2/c1-9(2,3)7-14(11)15(12,13)8-10(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane?
1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane has a molecular weight of 254.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylsulfonylsulfinyl)-2,2-dimethylpropane is sourced from PubChem (CID 551399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).