1-(2-propylsulfonylethylsulfonyl)propane

C8H18O4S2 — CID 19091

IUPAC1-(2-propylsulfonylethylsulfonyl)propane
SMILESCCCS(=O)(=O)CCS(=O)(=O)CCC
InChIInChI=1S/C8H18O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h3-8H2,1-2H3
InChIKeyQKIDHHJTRJZZGJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.64
Rot. Bonds7

About 1-(2-propylsulfonylethylsulfonyl)propane

1-(2-propylsulfonylethylsulfonyl)propane (PubChem CID 19091) has the molecular formula C8H18O4S2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-propylsulfonylethylsulfonyl)propane.

Molecular Properties

Compound Name1-(2-propylsulfonylethylsulfonyl)propane
PubChem CID19091
Molecular FormulaC8H18O4S2
Molecular Weight242.36 g/mol
Exact Mass242.06
IUPAC Name1-(2-propylsulfonylethylsulfonyl)propane
SMILESCCCS(=O)(=O)CCS(=O)(=O)CCC
InChIInChI=1S/C8H18O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h3-8H2,1-2H3
InChIKeyQKIDHHJTRJZZGJ-UHFFFAOYSA-N
XLogP0.64
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethylsulfonyl)propane?
The IUPAC name of 1-(2-propylsulfonylethylsulfonyl)propane (CID 19091) is 1-(2-propylsulfonylethylsulfonyl)propane.
What is the SMILES notation for 1-(2-propylsulfonylethylsulfonyl)propane?
The canonical SMILES for 1-(2-propylsulfonylethylsulfonyl)propane is CCCS(=O)(=O)CCS(=O)(=O)CCC.
What is the InChIKey of 1-(2-propylsulfonylethylsulfonyl)propane?
The InChIKey is QKIDHHJTRJZZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-(2-propylsulfonylethylsulfonyl)propane?
1-(2-propylsulfonylethylsulfonyl)propane has a molecular weight of 242.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfonylethylsulfonyl)propane is sourced from PubChem (CID 19091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).