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

C10H18O3S — CID 176605215

IUPAC4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
SMILESC/C=C/OC(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18O3S/c1-3-6-13-9(2)10-4-7-14(11,12)8-5-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyUWFZSZXXFIRPBR-ZZXKWVIFSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds3

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

4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide (PubChem CID 176605215) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
PubChem CID176605215
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
SMILESC/C=C/OC(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18O3S/c1-3-6-13-9(2)10-4-7-14(11,12)8-5-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyUWFZSZXXFIRPBR-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

3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277
3-[1-[(E)-prop-1-enoxy]ethyl]thiepane 1-oxide
CID 176605211
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176604731
2-(1,1-dioxothian-4-yl)-2-methoxyacetaldehyde
CID 115024689
4-butan-2-ylthiane 1,1-dioxide
CID 123360092
[(1R)-1-cyclopropylethyl] formate
CID 143509718
4-(1-nitroethyl)thiane 1,1-dioxide
CID 105460330
(1,1-dioxothian-4-yl)-fluoromethanamine
CID 105439422
2-(1,1-dioxothiolan-3-yl)-2-methoxyacetaldehyde
CID 115019035
2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502
1-(1,1-dioxothian-4-yl)butan-1-amine
CID 83048118

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The IUPAC name of 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide (CID 176605215) is 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide is C/C=C/OC(C)C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The InChIKey is UWFZSZXXFIRPBR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-6-13-9(2)10-4-7-14(11,12)8-5-10/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
4-[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 4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176605215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).