2,3-dimethylbutane-1-sulfonyl bromide

C6H13BrO2S — CID 87941798

IUPAC2,3-dimethylbutane-1-sulfonyl bromide
SMILESCC(C)C(C)CS(=O)(=O)Br
InChIInChI=1S/C6H13BrO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3
InChIKeyJIRIUMHQSBNAOS-UHFFFAOYSA-N
MW229.14 g/mol
LogP2.00
Rot. Bonds3

About 2,3-dimethylbutane-1-sulfonyl bromide

2,3-dimethylbutane-1-sulfonyl bromide (PubChem CID 87941798) has the molecular formula C6H13BrO2S and a molecular weight of 229.14 g/mol. Its IUPAC name is 2,3-dimethylbutane-1-sulfonyl bromide.

Molecular Properties

Compound Name2,3-dimethylbutane-1-sulfonyl bromide
PubChem CID87941798
Molecular FormulaC6H13BrO2S
Molecular Weight229.14 g/mol
Exact Mass227.98
IUPAC Name2,3-dimethylbutane-1-sulfonyl bromide
SMILESCC(C)C(C)CS(=O)(=O)Br
InChIInChI=1S/C6H13BrO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3
InChIKeyJIRIUMHQSBNAOS-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-1-sulfonyl bromide?
The IUPAC name of 2,3-dimethylbutane-1-sulfonyl bromide (CID 87941798) is 2,3-dimethylbutane-1-sulfonyl bromide.
What is the SMILES notation for 2,3-dimethylbutane-1-sulfonyl bromide?
The canonical SMILES for 2,3-dimethylbutane-1-sulfonyl bromide is CC(C)C(C)CS(=O)(=O)Br.
What is the InChIKey of 2,3-dimethylbutane-1-sulfonyl bromide?
The InChIKey is JIRIUMHQSBNAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO2S/c1-5(2)6(3)4-10(7,8)9/h5-6H,4H2,1-3H3.
What are the key properties of 2,3-dimethylbutane-1-sulfonyl bromide?
2,3-dimethylbutane-1-sulfonyl bromide has a molecular weight of 229.14 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-1-sulfonyl bromide is sourced from PubChem (CID 87941798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).