2-(3-ethenoxypropyl)thiane 1,1-dioxide

C10H18O3S — CID 176603087

IUPAC2-(3-ethenoxypropyl)thiane 1,1-dioxide
SMILESC=COCCCC1CCCCS1(=O)=O
InChIInChI=1S/C10H18O3S/c1-2-13-8-5-7-10-6-3-4-9-14(10,11)12/h2,10H,1,3-9H2
InChIKeyNBFWPSOQMXOSBX-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-ethenoxypropyl)thiane 1,1-dioxide

2-(3-ethenoxypropyl)thiane 1,1-dioxide (PubChem CID 176603087) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)thiane 1,1-dioxide.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)thiane 1,1-dioxide
PubChem CID176603087
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-(3-ethenoxypropyl)thiane 1,1-dioxide
SMILESC=COCCCC1CCCCS1(=O)=O
InChIInChI=1S/C10H18O3S/c1-2-13-8-5-7-10-6-3-4-9-14(10,11)12/h2,10H,1,3-9H2
InChIKeyNBFWPSOQMXOSBX-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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

2-(Ethenoxymethyl)thiocane 1-oxide
CID 176603086
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
2-[3-[(E)-prop-1-enoxy]propyl]thiane 1-oxide
CID 176603270
2-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603382
3-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603407
2-(Ethenoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603497
2-(3-Ethenoxypropyl)-2-ethylthiane 1-oxide
CID 176603581
2-(3-Ethenoxypropyl)thiane
CID 176603594
2-(3-Ethenoxypropyl)thiocane 1-oxide
CID 176603657
2-(Ethenoxymethyl)thiocane 1,1-dioxide
CID 176603810
2-(Ethenoxymethyl)thiane 1-oxide
CID 176603837
2-[3-(2-Methylprop-1-enoxy)propyl]thiane 1,1-dioxide
CID 176603897

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)thiane 1,1-dioxide?
The IUPAC name of 2-(3-ethenoxypropyl)thiane 1,1-dioxide (CID 176603087) is 2-(3-ethenoxypropyl)thiane 1,1-dioxide.
What is the SMILES notation for 2-(3-ethenoxypropyl)thiane 1,1-dioxide?
The canonical SMILES for 2-(3-ethenoxypropyl)thiane 1,1-dioxide is C=COCCCC1CCCCS1(=O)=O.
What is the InChIKey of 2-(3-ethenoxypropyl)thiane 1,1-dioxide?
The InChIKey is NBFWPSOQMXOSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-2-13-8-5-7-10-6-3-4-9-14(10,11)12/h2,10H,1,3-9H2.
What are the key properties of 2-(3-ethenoxypropyl)thiane 1,1-dioxide?
2-(3-ethenoxypropyl)thiane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)thiane 1,1-dioxide is sourced from PubChem (CID 176603087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).