2-[2-(bromomethyl)butylsulfonylmethyl]oxolane

C10H19BrO3S — CID 106493743

IUPAC2-[2-(bromomethyl)butylsulfonylmethyl]oxolane
SMILESCCC(CBr)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H19BrO3S/c1-2-9(6-11)7-15(12,13)8-10-4-3-5-14-10/h9-10H,2-8H2,1H3
InChIKeyXNTMFUJMBTVLMJ-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.00
Rot. Bonds6

About 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane

2-[2-(bromomethyl)butylsulfonylmethyl]oxolane (PubChem CID 106493743) has the molecular formula C10H19BrO3S and a molecular weight of 299.23 g/mol. Its IUPAC name is 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane.

Molecular Properties

Compound Name2-[2-(bromomethyl)butylsulfonylmethyl]oxolane
PubChem CID106493743
Molecular FormulaC10H19BrO3S
Molecular Weight299.23 g/mol
Exact Mass298.02
IUPAC Name2-[2-(bromomethyl)butylsulfonylmethyl]oxolane
SMILESCCC(CBr)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H19BrO3S/c1-2-9(6-11)7-15(12,13)8-10-4-3-5-14-10/h9-10H,2-8H2,1H3
InChIKeyXNTMFUJMBTVLMJ-UHFFFAOYSA-N
XLogP2.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.00
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-(bromomethyl)pentylsulfonylmethyl]oxolane
CID 106493730
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine
CID 107508896
2-[(5-bromo-3-methylpentyl)sulfonylmethyl]oxolane
CID 106493722
(2R)-2-ethyloxolane
CID 641529
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
azane;2-ethyloxolane
CID 174465001
N-ethyl-1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanamine
CID 106495943
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane?
The IUPAC name of 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane (CID 106493743) is 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane.
What is the SMILES notation for 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane?
The canonical SMILES for 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane is CCC(CBr)CS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane?
The InChIKey is XNTMFUJMBTVLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO3S/c1-2-9(6-11)7-15(12,13)8-10-4-3-5-14-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane?
2-[2-(bromomethyl)butylsulfonylmethyl]oxolane has a molecular weight of 299.23 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)butylsulfonylmethyl]oxolane is sourced from PubChem (CID 106493743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).