3-(3-ethenoxypropyl)thiane 1,1-dioxide

C10H18O3S — CID 176603407

IUPAC3-(3-ethenoxypropyl)thiane 1,1-dioxide
SMILESC=COCCCC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-2-13-7-3-5-10-6-4-8-14(11,12)9-10/h2,10H,1,3-9H2
InChIKeyYENLKERHTXBSBK-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds5

About 3-(3-ethenoxypropyl)thiane 1,1-dioxide

3-(3-ethenoxypropyl)thiane 1,1-dioxide (PubChem CID 176603407) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)thiane 1,1-dioxide
PubChem CID176603407
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-(3-ethenoxypropyl)thiane 1,1-dioxide
SMILESC=COCCCC1CCCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-2-13-7-3-5-10-6-4-8-14(11,12)9-10/h2,10H,1,3-9H2
InChIKeyYENLKERHTXBSBK-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Methoxymethyl)-1-(2-methylpropylsulfonyl)cyclohexane
CID 58815117
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176602912
2-(2-Ethenoxyethyl)-2-methylthiepane 1,1-dioxide
CID 176603019
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078
2-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603087
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603119
4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603206
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
2-(Ethenoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603497

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenoxypropyl)thiane 1,1-dioxide?
The IUPAC name of 3-(3-ethenoxypropyl)thiane 1,1-dioxide (CID 176603407) is 3-(3-ethenoxypropyl)thiane 1,1-dioxide.
What is the SMILES notation for 3-(3-ethenoxypropyl)thiane 1,1-dioxide?
The canonical SMILES for 3-(3-ethenoxypropyl)thiane 1,1-dioxide is C=COCCCC1CCCS(=O)(=O)C1.
What is the InChIKey of 3-(3-ethenoxypropyl)thiane 1,1-dioxide?
The InChIKey is YENLKERHTXBSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-2-13-7-3-5-10-6-4-8-14(11,12)9-10/h2,10H,1,3-9H2.
What are the key properties of 3-(3-ethenoxypropyl)thiane 1,1-dioxide?
3-(3-ethenoxypropyl)thiane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)thiane 1,1-dioxide is sourced from PubChem (CID 176603407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).