2-butan-2-ylsulfonylbutane

C8H18O2S — CID 14910019

IUPAC2-butan-2-ylsulfonylbutane
SMILESCCC(C)S(=O)(=O)C(C)CC
InChIInChI=1S/C8H18O2S/c1-5-7(3)11(9,10)8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyJLVVWUGZAUGXNZ-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.00
Rot. Bonds4

About 2-butan-2-ylsulfonylbutane

2-butan-2-ylsulfonylbutane (PubChem CID 14910019) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-butan-2-ylsulfonylbutane.

Molecular Properties

Compound Name2-butan-2-ylsulfonylbutane
PubChem CID14910019
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name2-butan-2-ylsulfonylbutane
SMILESCCC(C)S(=O)(=O)C(C)CC
InChIInChI=1S/C8H18O2S/c1-5-7(3)11(9,10)8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyJLVVWUGZAUGXNZ-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonylbutane?
The IUPAC name of 2-butan-2-ylsulfonylbutane (CID 14910019) is 2-butan-2-ylsulfonylbutane.
What is the SMILES notation for 2-butan-2-ylsulfonylbutane?
The canonical SMILES for 2-butan-2-ylsulfonylbutane is CCC(C)S(=O)(=O)C(C)CC.
What is the InChIKey of 2-butan-2-ylsulfonylbutane?
The InChIKey is JLVVWUGZAUGXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-5-7(3)11(9,10)8(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfonylbutane?
2-butan-2-ylsulfonylbutane has a molecular weight of 178.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonylbutane is sourced from PubChem (CID 14910019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).