2-propan-2-ylsulfonylsulfonylpropane

C6H14O4S2 — CID 13024322

IUPAC2-propan-2-ylsulfonylsulfonylpropane
SMILESCC(C)S(=O)(=O)S(=O)(=O)C(C)C
InChIInChI=1S/C6H14O4S2/c1-5(2)11(7,8)12(9,10)6(3)4/h5-6H,1-4H3
InChIKeyNIHPCNCGPGOHPF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.55
Rot. Bonds3

About 2-propan-2-ylsulfonylsulfonylpropane

2-propan-2-ylsulfonylsulfonylpropane (PubChem CID 13024322) has the molecular formula C6H14O4S2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-propan-2-ylsulfonylsulfonylpropane.

Molecular Properties

Compound Name2-propan-2-ylsulfonylsulfonylpropane
PubChem CID13024322
Molecular FormulaC6H14O4S2
Molecular Weight214.31 g/mol
Exact Mass214.03
IUPAC Name2-propan-2-ylsulfonylsulfonylpropane
SMILESCC(C)S(=O)(=O)S(=O)(=O)C(C)C
InChIInChI=1S/C6H14O4S2/c1-5(2)11(7,8)12(9,10)6(3)4/h5-6H,1-4H3
InChIKeyNIHPCNCGPGOHPF-UHFFFAOYSA-N
XLogP0.55
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonylsulfonylpropane?
The IUPAC name of 2-propan-2-ylsulfonylsulfonylpropane (CID 13024322) is 2-propan-2-ylsulfonylsulfonylpropane.
What is the SMILES notation for 2-propan-2-ylsulfonylsulfonylpropane?
The canonical SMILES for 2-propan-2-ylsulfonylsulfonylpropane is CC(C)S(=O)(=O)S(=O)(=O)C(C)C.
What is the InChIKey of 2-propan-2-ylsulfonylsulfonylpropane?
The InChIKey is NIHPCNCGPGOHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4S2/c1-5(2)11(7,8)12(9,10)6(3)4/h5-6H,1-4H3.
What are the key properties of 2-propan-2-ylsulfonylsulfonylpropane?
2-propan-2-ylsulfonylsulfonylpropane has a molecular weight of 214.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonylsulfonylpropane is sourced from PubChem (CID 13024322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).