2-(3-bromopropylsulfonylmethyl)oxolane

C8H15BrO3S — CID 106493731

IUPAC2-(3-bromopropylsulfonylmethyl)oxolane
SMILESO=S(=O)(CCCBr)CC1CCCO1
InChIInChI=1S/C8H15BrO3S/c9-4-2-6-13(10,11)7-8-3-1-5-12-8/h8H,1-7H2
InChIKeyLDAFYUYJBCLNJY-UHFFFAOYSA-N
MW271.18 g/mol
LogP1.37
Rot. Bonds5

About 2-(3-bromopropylsulfonylmethyl)oxolane

2-(3-bromopropylsulfonylmethyl)oxolane (PubChem CID 106493731) has the molecular formula C8H15BrO3S and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-(3-bromopropylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name2-(3-bromopropylsulfonylmethyl)oxolane
PubChem CID106493731
Molecular FormulaC8H15BrO3S
Molecular Weight271.18 g/mol
Exact Mass269.99
IUPAC Name2-(3-bromopropylsulfonylmethyl)oxolane
SMILESO=S(=O)(CCCBr)CC1CCCO1
InChIInChI=1S/C8H15BrO3S/c9-4-2-6-13(10,11)7-8-3-1-5-12-8/h8H,1-7H2
InChIKeyLDAFYUYJBCLNJY-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-Bromo-3,3,3-trifluoropropyl)sulfonylmethyl]oxolane
CID 106493736
3-(2-Bromo-3,3,3-trifluoropropyl)sulfonyl-2-methyloxolane
CID 107746976
3-Bromo-4-(4,4,4-trifluorobutoxy)-1lambda6-thiolane-1,1-dione
CID 114774781
4-Bromo-2-(methylsulfinylmethyl)oxolane
CID 150923302
4-Bromo-3-(2-bromoethoxy)thiolane-1,1-dione
CID 2772234
4-(3-Bromopropylsulfonyl)oxane
CID 62995869
(3S,4R)-3-bromo-4-(2-bromoethoxy)thiolane 1,1-dioxide
CID 92200894
(3R,4S)-3-bromo-4-(2-bromoethoxy)thiolane 1,1-dioxide
CID 92200895
(3S,4S)-3-bromo-4-(2-bromoethoxy)thiolane 1,1-dioxide
CID 92200896
(3R,4R)-3-bromo-4-(2-bromoethoxy)thiolane 1,1-dioxide
CID 92259827
3-Bromo-4-(pentan-2-yloxy)-1lambda6-thiolane-1,1-dione
CID 102984532
3-Bromo-4-[(2-methylpentyl)oxy]-1lambda6-thiolane-1,1-dione
CID 103285113

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropylsulfonylmethyl)oxolane?
The IUPAC name of 2-(3-bromopropylsulfonylmethyl)oxolane (CID 106493731) is 2-(3-bromopropylsulfonylmethyl)oxolane.
What is the SMILES notation for 2-(3-bromopropylsulfonylmethyl)oxolane?
The canonical SMILES for 2-(3-bromopropylsulfonylmethyl)oxolane is O=S(=O)(CCCBr)CC1CCCO1.
What is the InChIKey of 2-(3-bromopropylsulfonylmethyl)oxolane?
The InChIKey is LDAFYUYJBCLNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrO3S/c9-4-2-6-13(10,11)7-8-3-1-5-12-8/h8H,1-7H2.
What are the key properties of 2-(3-bromopropylsulfonylmethyl)oxolane?
2-(3-bromopropylsulfonylmethyl)oxolane has a molecular weight of 271.18 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropylsulfonylmethyl)oxolane is sourced from PubChem (CID 106493731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).