1-(2-butylsulfonylethylsulfonyl)butane

C10H22O4S2 — CID 546356

IUPAC1-(2-butylsulfonylethylsulfonyl)butane
SMILESCCCCS(=O)(=O)CCS(=O)(=O)CCCC
InChIInChI=1S/C10H22O4S2/c1-3-5-7-15(11,12)9-10-16(13,14)8-6-4-2/h3-10H2,1-2H3
InChIKeyMYGXWCOFMXCNRN-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.42
Rot. Bonds9

About 1-(2-butylsulfonylethylsulfonyl)butane

1-(2-butylsulfonylethylsulfonyl)butane (PubChem CID 546356) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-butylsulfonylethylsulfonyl)butane.

Molecular Properties

Compound Name1-(2-butylsulfonylethylsulfonyl)butane
PubChem CID546356
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name1-(2-butylsulfonylethylsulfonyl)butane
SMILESCCCCS(=O)(=O)CCS(=O)(=O)CCCC
InChIInChI=1S/C10H22O4S2/c1-3-5-7-15(11,12)9-10-16(13,14)8-6-4-2/h3-10H2,1-2H3
InChIKeyMYGXWCOFMXCNRN-UHFFFAOYSA-N
XLogP1.42
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butylsulfonylethylsulfonyl)butane?
The IUPAC name of 1-(2-butylsulfonylethylsulfonyl)butane (CID 546356) is 1-(2-butylsulfonylethylsulfonyl)butane.
What is the SMILES notation for 1-(2-butylsulfonylethylsulfonyl)butane?
The canonical SMILES for 1-(2-butylsulfonylethylsulfonyl)butane is CCCCS(=O)(=O)CCS(=O)(=O)CCCC.
What is the InChIKey of 1-(2-butylsulfonylethylsulfonyl)butane?
The InChIKey is MYGXWCOFMXCNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c1-3-5-7-15(11,12)9-10-16(13,14)8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-(2-butylsulfonylethylsulfonyl)butane?
1-(2-butylsulfonylethylsulfonyl)butane has a molecular weight of 270.42 g/mol, XLogP of 1.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylsulfonylethylsulfonyl)butane is sourced from PubChem (CID 546356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).