cyclopropylmethanesulfonyl bromide

C4H7BrO2S — CID 130493586

IUPACcyclopropylmethanesulfonyl bromide
SMILESO=S(=O)(Br)CC1CC1
InChIInChI=1S/C4H7BrO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2
InChIKeyZJDWLLSZBUKRQL-UHFFFAOYSA-N
MW199.07 g/mol
LogP1.12
Rot. Bonds2

About cyclopropylmethanesulfonyl bromide

cyclopropylmethanesulfonyl bromide (PubChem CID 130493586) has the molecular formula C4H7BrO2S and a molecular weight of 199.07 g/mol. Its IUPAC name is cyclopropylmethanesulfonyl bromide.

Molecular Properties

Compound Namecyclopropylmethanesulfonyl bromide
PubChem CID130493586
Molecular FormulaC4H7BrO2S
Molecular Weight199.07 g/mol
Exact Mass197.94
IUPAC Namecyclopropylmethanesulfonyl bromide
SMILESO=S(=O)(Br)CC1CC1
InChIInChI=1S/C4H7BrO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2
InChIKeyZJDWLLSZBUKRQL-UHFFFAOYSA-N
XLogP1.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.07
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanesulfonyl bromide?
The IUPAC name of cyclopropylmethanesulfonyl bromide (CID 130493586) is cyclopropylmethanesulfonyl bromide.
What is the SMILES notation for cyclopropylmethanesulfonyl bromide?
The canonical SMILES for cyclopropylmethanesulfonyl bromide is O=S(=O)(Br)CC1CC1.
What is the InChIKey of cyclopropylmethanesulfonyl bromide?
The InChIKey is ZJDWLLSZBUKRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2.
What are the key properties of cyclopropylmethanesulfonyl bromide?
cyclopropylmethanesulfonyl bromide has a molecular weight of 199.07 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanesulfonyl bromide is sourced from PubChem (CID 130493586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).