(3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide

C10H16O4S — CID 7038885

IUPAC(3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
SMILESC=CCO[C@H]1CS(=O)(=O)C[C@H]1OCC=C
InChIInChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2/t9-,10+
InChIKeyKDHWGEZUFBKRRL-AOOOYVTPSA-N
MW232.30 g/mol
LogP0.56
Rot. Bonds6

About (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide

(3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide (PubChem CID 7038885) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
PubChem CID7038885
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name(3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide
SMILESC=CCO[C@H]1CS(=O)(=O)C[C@H]1OCC=C
InChIInChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2/t9-,10+
InChIKeyKDHWGEZUFBKRRL-AOOOYVTPSA-N
XLogP0.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
3-prop-2-enylperoxythiolane 1,1-dioxide
CID 135235402
trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 11205806
(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol
CID 10869017
(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
CID 102261355
cis-(1S,2R)-1-methyl-2-prop-2-enoxycyclododecane
CID 10657598
3,4,5,6-tetrakis(prop-2-enoxy)cyclohexane-1,2-diol
CID 15666729
(1S,2S,3S,4S,5R,6R)-5,6-bis(prop-2-enoxy)cyclohexane-1,2,3,4-tetrol
CID 23248808
1,3,2-dioxathiolane 2,2-dioxide;3-prop-2-enoxyprop-1-ene;hydrate
CID 174358407
5-ethenyl-2-prop-2-enoxycyclohexan-1-ol
CID 118659582
O-prop-2-enyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamothioate
CID 43827882
3,5-bis(prop-2-enoxy)cyclopentene
CID 85352831

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The IUPAC name of (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide (CID 7038885) is (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide.
What is the SMILES notation for (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The canonical SMILES for (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide is C=CCO[C@H]1CS(=O)(=O)C[C@H]1OCC=C.
What is the InChIKey of (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
The InChIKey is KDHWGEZUFBKRRL-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H16O4S/c1-3-5-13-9-7-15(11,12)8-10(9)14-6-4-2/h3-4,9-10H,1-2,5-8H2/t9-,10+.
What are the key properties of (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide?
(3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide has a molecular weight of 232.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-bis(prop-2-enoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 7038885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).