2-methylpentane-2-sulfonyl bromide

C6H13BrO2S — CID 22935886

IUPAC2-methylpentane-2-sulfonyl bromide
SMILESCCCC(C)(C)S(=O)(=O)Br
InChIInChI=1S/C6H13BrO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3
InChIKeyZOCPCMWMNXKVOW-UHFFFAOYSA-N
MW229.14 g/mol
LogP2.29
Rot. Bonds3

About 2-methylpentane-2-sulfonyl bromide

2-methylpentane-2-sulfonyl bromide (PubChem CID 22935886) has the molecular formula C6H13BrO2S and a molecular weight of 229.14 g/mol. Its IUPAC name is 2-methylpentane-2-sulfonyl bromide.

Molecular Properties

Compound Name2-methylpentane-2-sulfonyl bromide
PubChem CID22935886
Molecular FormulaC6H13BrO2S
Molecular Weight229.14 g/mol
Exact Mass227.98
IUPAC Name2-methylpentane-2-sulfonyl bromide
SMILESCCCC(C)(C)S(=O)(=O)Br
InChIInChI=1S/C6H13BrO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3
InChIKeyZOCPCMWMNXKVOW-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-2-propylpropanedial
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CID 101008751
3-methylhexane-3-sulfonamide
CID 57466986
2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane
CID 25021309
3-amino-2,2-dimethylhexane-3-sulfonic acid
CID 141155845
2-fluoro-2-propan-2-ylsulfonylpentane
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Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-2-sulfonyl bromide?
The IUPAC name of 2-methylpentane-2-sulfonyl bromide (CID 22935886) is 2-methylpentane-2-sulfonyl bromide.
What is the SMILES notation for 2-methylpentane-2-sulfonyl bromide?
The canonical SMILES for 2-methylpentane-2-sulfonyl bromide is CCCC(C)(C)S(=O)(=O)Br.
What is the InChIKey of 2-methylpentane-2-sulfonyl bromide?
The InChIKey is ZOCPCMWMNXKVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3.
What are the key properties of 2-methylpentane-2-sulfonyl bromide?
2-methylpentane-2-sulfonyl bromide has a molecular weight of 229.14 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-2-sulfonyl bromide is sourced from PubChem (CID 22935886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).