3-(oxan-4-yl)propane-1-sulfonyl chloride

C8H15ClO3S — CID 83709845

IUPAC3-(oxan-4-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC1CCOCC1
InChIInChI=1S/C8H15ClO3S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h8H,1-7H2
InChIKeyPZOPEGDOQPYUSC-UHFFFAOYSA-N
MW226.72 g/mol
LogP1.76
Rot. Bonds4

About 3-(oxan-4-yl)propane-1-sulfonyl chloride

3-(oxan-4-yl)propane-1-sulfonyl chloride (PubChem CID 83709845) has the molecular formula C8H15ClO3S and a molecular weight of 226.72 g/mol. Its IUPAC name is 3-(oxan-4-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(oxan-4-yl)propane-1-sulfonyl chloride
PubChem CID83709845
Molecular FormulaC8H15ClO3S
Molecular Weight226.72 g/mol
Exact Mass226.04
IUPAC Name3-(oxan-4-yl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCC1CCOCC1
InChIInChI=1S/C8H15ClO3S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h8H,1-7H2
InChIKeyPZOPEGDOQPYUSC-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 3-(oxan-4-yl)propane-1-sulfonyl 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 3-(oxan-4-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(oxan-4-yl)propane-1-sulfonyl chloride (CID 83709845) is 3-(oxan-4-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(oxan-4-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(oxan-4-yl)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)propane-1-sulfonyl chloride?
The InChIKey is PZOPEGDOQPYUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO3S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h8H,1-7H2.
What are the key properties of 3-(oxan-4-yl)propane-1-sulfonyl chloride?
3-(oxan-4-yl)propane-1-sulfonyl chloride has a molecular weight of 226.72 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 83709845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).