(3S)-3-prop-2-enoxythiolane 1,1-dioxide

C7H12O3S — CID 7059101

IUPAC(3S)-3-prop-2-enoxythiolane 1,1-dioxide
SMILESC=CCO[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H12O3S/c1-2-4-10-7-3-5-11(8,9)6-7/h2,7H,1,3-6H2/t7-/m0/s1
InChIKeyCPYGYTPZLDSIKS-ZETCQYMHSA-N
MW176.24 g/mol
LogP0.38
Rot. Bonds3

About (3S)-3-prop-2-enoxythiolane 1,1-dioxide

(3S)-3-prop-2-enoxythiolane 1,1-dioxide (PubChem CID 7059101) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is (3S)-3-prop-2-enoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-prop-2-enoxythiolane 1,1-dioxide
PubChem CID7059101
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name(3S)-3-prop-2-enoxythiolane 1,1-dioxide
SMILESC=CCO[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H12O3S/c1-2-4-10-7-3-5-11(8,9)6-7/h2,7H,1,3-6H2/t7-/m0/s1
InChIKeyCPYGYTPZLDSIKS-ZETCQYMHSA-N
XLogP0.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-prop-2-enoxythiolane 1,1-dioxide?
The IUPAC name of (3S)-3-prop-2-enoxythiolane 1,1-dioxide (CID 7059101) is (3S)-3-prop-2-enoxythiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-prop-2-enoxythiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-prop-2-enoxythiolane 1,1-dioxide is C=CCO[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-3-prop-2-enoxythiolane 1,1-dioxide?
The InChIKey is CPYGYTPZLDSIKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O3S/c1-2-4-10-7-3-5-11(8,9)6-7/h2,7H,1,3-6H2/t7-/m0/s1.
What are the key properties of (3S)-3-prop-2-enoxythiolane 1,1-dioxide?
(3S)-3-prop-2-enoxythiolane 1,1-dioxide has a molecular weight of 176.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-prop-2-enoxythiolane 1,1-dioxide is sourced from PubChem (CID 7059101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).