2-(2-cyclopropylpropoxy)ethanesulfonyl chloride

C8H15ClO3S — CID 165492272

IUPAC2-(2-cyclopropylpropoxy)ethanesulfonyl chloride
SMILESCC(COCCS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C8H15ClO3S/c1-7(8-2-3-8)6-12-4-5-13(9,10)11/h7-8H,2-6H2,1H3
InChIKeyVFNNYJKHFMBZJB-UHFFFAOYSA-N
MW226.72 g/mol
LogP1.62
Rot. Bonds6

About 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride

2-(2-cyclopropylpropoxy)ethanesulfonyl chloride (PubChem CID 165492272) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-cyclopropylpropoxy)ethanesulfonyl chloride
PubChem CID165492272
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Name2-(2-cyclopropylpropoxy)ethanesulfonyl chloride
SMILESCC(COCCS(=O)(=O)Cl)C1CC1
InChIInChI=1S/C8H15ClO3S/c1-7(8-2-3-8)6-12-4-5-13(9,10)11/h7-8H,2-6H2,1H3
InChIKeyVFNNYJKHFMBZJB-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylbutoxy)ethanesulfonyl chloride
CID 165490074
2-(2,2-difluoroethoxy)ethanesulfonyl chloride
CID 75480959
2-cyclopropylpropyl methanesulfonate
CID 175959221
4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride
CID 106450585
6-(2-methylpentoxy)hexane-1-sulfonyl chloride
CID 103285980
2-methoxyethanesulfonyl chloride
CID 13480221
1-methoxypropan-2-ylcyclopentane
CID 88998786
2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride
CID 114342697
2-cyclopropyl-2-methoxyethanesulfonyl chloride
CID 105451878
1-chloro-3-(1-methoxypropan-2-yl)cyclopentane
CID 64515651
2-cyclopropyl-3-(2,2-difluoropropoxy)propane-1-sulfonyl chloride
CID 165492969
2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
CID 115663153

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride (CID 165492272) is 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride is CC(COCCS(=O)(=O)Cl)C1CC1.
What is the InChIKey of 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride?
The InChIKey is VFNNYJKHFMBZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3S/c1-7(8-2-3-8)6-12-4-5-13(9,10)11/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride?
2-(2-cyclopropylpropoxy)ethanesulfonyl chloride has a molecular weight of 226.72 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpropoxy)ethanesulfonyl chloride is sourced from PubChem (CID 165492272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).