4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide

C11H20O3S — CID 176603206

IUPAC4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
SMILESC/C=C/OCCCC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H20O3S/c1-2-7-14-8-3-4-11-5-9-15(12,13)10-6-11/h2,7,11H,3-6,8-10H2,1H3/b7-2+
InChIKeyXEAZCSCIDPIMLD-FARCUNLSSA-N
MW232.34 g/mol
LogP2.14
Rot. Bonds5

About 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide

4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide (PubChem CID 176603206) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
PubChem CID176603206
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
SMILESC/C=C/OCCCC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H20O3S/c1-2-7-14-8-3-4-11-5-9-15(12,13)10-6-11/h2,7,11H,3-6,8-10H2,1H3/b7-2+
InChIKeyXEAZCSCIDPIMLD-FARCUNLSSA-N
XLogP2.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.14
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

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
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiane 1-oxide
CID 176602999
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603004
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]thiane 1-oxide
CID 176603005
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603043
3-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide
CID 176603078
3-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176603083
2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603109
2-(2-Ethenoxyethyl)-2-methylthiane 1,1-dioxide
CID 176603113
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane 1,1-dioxide
CID 176603119
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603136

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide?
The IUPAC name of 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide (CID 176603206) is 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide is C/C=C/OCCCC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide?
The InChIKey is XEAZCSCIDPIMLD-FARCUNLSSA-N. The full InChI is InChI=1S/C11H20O3S/c1-2-7-14-8-3-4-11-5-9-15(12,13)10-6-11/h2,7,11H,3-6,8-10H2,1H3/b7-2+.
What are the key properties of 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide?
4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide has a molecular weight of 232.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-prop-1-enoxy]propyl]thiane 1,1-dioxide is sourced from PubChem (CID 176603206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).