4-(3-ethenoxypropyl)thiane 1-oxide

C10H18O2S — CID 176603702

IUPAC4-(3-ethenoxypropyl)thiane 1-oxide
SMILESC=COCCCC1CCS(=O)CC1
InChIInChI=1S/C10H18O2S/c1-2-12-7-3-4-10-5-8-13(11)9-6-10/h2,10H,1,3-9H2
InChIKeyHNTMKSJLZMRGJC-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.09
Rot. Bonds5

About 4-(3-ethenoxypropyl)thiane 1-oxide

4-(3-ethenoxypropyl)thiane 1-oxide (PubChem CID 176603702) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 4-(3-ethenoxypropyl)thiane 1-oxide.

Molecular Properties

Compound Name4-(3-ethenoxypropyl)thiane 1-oxide
PubChem CID176603702
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name4-(3-ethenoxypropyl)thiane 1-oxide
SMILESC=COCCCC1CCS(=O)CC1
InChIInChI=1S/C10H18O2S/c1-2-12-7-3-4-10-5-8-13(11)9-6-10/h2,10H,1,3-9H2
InChIKeyHNTMKSJLZMRGJC-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-ethenoxypropyl)thiane 1-oxide with MolForge

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

Launch Full Analysis

Related Compounds

4-(Ethenoxymethyl)thiane 1-oxide
CID 176602942
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603206
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
3-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176603290
3-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
4-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603313
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
3-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603407
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenoxypropyl)thiane 1-oxide?
The IUPAC name of 4-(3-ethenoxypropyl)thiane 1-oxide (CID 176603702) is 4-(3-ethenoxypropyl)thiane 1-oxide.
What is the SMILES notation for 4-(3-ethenoxypropyl)thiane 1-oxide?
The canonical SMILES for 4-(3-ethenoxypropyl)thiane 1-oxide is C=COCCCC1CCS(=O)CC1.
What is the InChIKey of 4-(3-ethenoxypropyl)thiane 1-oxide?
The InChIKey is HNTMKSJLZMRGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-2-12-7-3-4-10-5-8-13(11)9-6-10/h2,10H,1,3-9H2.
What are the key properties of 4-(3-ethenoxypropyl)thiane 1-oxide?
4-(3-ethenoxypropyl)thiane 1-oxide has a molecular weight of 202.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenoxypropyl)thiane 1-oxide is sourced from PubChem (CID 176603702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).