3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide

C10H18O3S — CID 176603083

IUPAC3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
SMILESC/C=C/OC(C)C1CCCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-3-6-13-9(2)10-5-4-7-14(11,12)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyYUBIBBKOYVTISU-ZZXKWVIFSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds3

About 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide

3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide (PubChem CID 176603083) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
PubChem CID176603083
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
SMILESC/C=C/OC(C)C1CCCS(=O)(=O)C1
InChIInChI=1S/C10H18O3S/c1-3-6-13-9(2)10-5-4-7-14(11,12)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyYUBIBBKOYVTISU-ZZXKWVIFSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Related Compounds

4-(Prop-1-en-2-yloxymethyl)thiane 1,1-dioxide
CID 167172166
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176602912
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176602955
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
4-(1-Ethenoxyethyl)thiane 1,1-dioxide
CID 176603056
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078
2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603109
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
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-(1-Ethenoxyethyl)thiane 1-oxide
CID 176603311
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide (CID 176603083) is 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The canonical SMILES for 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide is C/C=C/OC(C)C1CCCS(=O)(=O)C1.
What is the InChIKey of 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The InChIKey is YUBIBBKOYVTISU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-6-13-9(2)10-5-4-7-14(11,12)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).