4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide

C10H18O3S — CID 176604731

IUPAC4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
SMILESC/C=C/OCCC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18O3S/c1-2-6-13-7-3-10-4-8-14(11,12)9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyCZLDVNHZNRFORA-QHHAFSJGSA-N
MW218.32 g/mol
LogP1.75
Rot. Bonds4

About 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide

4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide (PubChem CID 176604731) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
PubChem CID176604731
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
SMILESC/C=C/OCCC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18O3S/c1-2-6-13-7-3-10-4-8-14(11,12)9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+
InChIKeyCZLDVNHZNRFORA-QHHAFSJGSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

4-(2-chloroethyl)thiane 1,1-dioxide
CID 165442891
4-(3-methylbutyl)thiane 1,1-dioxide
CID 155094619
O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104683
4-[1-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide
CID 176605215
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
CID 105460988
3,3,3-trifluoropropyl 3-(1,1-dioxothian-4-yl)propanoate
CID 163782800
2-(1,1-dioxothian-4-yl)ethyl 4-(trifluoromethyl)benzoate
CID 163728235
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
CID 115074188
N-[(1,1-dioxothian-4-yl)methyl]pentan-3-amine
CID 115896677
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
1-(1,1-dioxothian-4-yl)-3,3,4,4-tetrafluoropentan-2-ol
CID 163639046

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The IUPAC name of 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide (CID 176604731) is 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide is C/C=C/OCCC1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
The InChIKey is CZLDVNHZNRFORA-QHHAFSJGSA-N. The full InChI is InChI=1S/C10H18O3S/c1-2-6-13-7-3-10-4-8-14(11,12)9-5-10/h2,6,10H,3-5,7-9H2,1H3/b6-2+.
What are the key properties of 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide?
4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-prop-1-enoxy]ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 176604731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).