(4-ethyloxan-4-yl)methanesulfonyl chloride

C8H15ClO3S — CID 165457985

IUPAC(4-ethyloxan-4-yl)methanesulfonyl chloride
SMILESCCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C8H15ClO3S/c1-2-8(7-13(9,10)11)3-5-12-6-4-8/h2-7H2,1H3
InChIKeyRWZWWPCVDGJIPK-UHFFFAOYSA-N
MW226.72 g/mol
LogP1.76
Rot. Bonds3

About (4-ethyloxan-4-yl)methanesulfonyl chloride

(4-ethyloxan-4-yl)methanesulfonyl chloride (PubChem CID 165457985) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is (4-ethyloxan-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-ethyloxan-4-yl)methanesulfonyl chloride
PubChem CID165457985
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Name(4-ethyloxan-4-yl)methanesulfonyl chloride
SMILESCCC1(CS(=O)(=O)Cl)CCOCC1
InChIInChI=1S/C8H15ClO3S/c1-2-8(7-13(9,10)11)3-5-12-6-4-8/h2-7H2,1H3
InChIKeyRWZWWPCVDGJIPK-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethyloxan-4-yl)methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethyloxan-4-yl)methanesulfonyl chloride?
The IUPAC name of (4-ethyloxan-4-yl)methanesulfonyl chloride (CID 165457985) is (4-ethyloxan-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-ethyloxan-4-yl)methanesulfonyl chloride?
The canonical SMILES for (4-ethyloxan-4-yl)methanesulfonyl chloride is CCC1(CS(=O)(=O)Cl)CCOCC1.
What is the InChIKey of (4-ethyloxan-4-yl)methanesulfonyl chloride?
The InChIKey is RWZWWPCVDGJIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3S/c1-2-8(7-13(9,10)11)3-5-12-6-4-8/h2-7H2,1H3.
What are the key properties of (4-ethyloxan-4-yl)methanesulfonyl chloride?
(4-ethyloxan-4-yl)methanesulfonyl chloride has a molecular weight of 226.72 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyloxan-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 165457985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).