(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide

C12H22O2S — CID 162413317

IUPAC(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCCC1=C(CC)[C@H](CC)S(=O)(=O)[C@@H]1CC
InChIInChI=1S/C12H22O2S/c1-5-9-10(6-2)12(8-4)15(13,14)11(9)7-3/h11-12H,5-8H2,1-4H3/t11-,12+
InChIKeyRLVRIRDEWXOALE-TXEJJXNPSA-N
MW230.37 g/mol
LogP3.09
Rot. Bonds4

About (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide

(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 162413317) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID162413317
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCCC1=C(CC)[C@H](CC)S(=O)(=O)[C@@H]1CC
InChIInChI=1S/C12H22O2S/c1-5-9-10(6-2)12(8-4)15(13,14)11(9)7-3/h11-12H,5-8H2,1-4H3/t11-,12+
InChIKeyRLVRIRDEWXOALE-TXEJJXNPSA-N
XLogP3.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
3,4-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 67001955
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
3,4-Ditert-butyl-2,5-dihydrothiophene 1,1-dioxide
CID 316262
1,1-Dioxide-2,5-dihydro-3-methyl-2-(3-methyl-2-butenyl)thiophene
CID 14565890
1,2,3,4,4a,5a,6,7,8,9-Decahydrodibenzothiophene 5,5-dioxide
CID 85903459
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 101151657
4,5-Dipropyl-2,3-dihydrothiophene 1-oxide
CID 129751983
(E)-3-methyl-2-methylsulfonylnon-2-ene
CID 134851608

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide (CID 162413317) is (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide is CCC1=C(CC)[C@H](CC)S(=O)(=O)[C@@H]1CC.
What is the InChIKey of (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is RLVRIRDEWXOALE-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H22O2S/c1-5-9-10(6-2)12(8-4)15(13,14)11(9)7-3/h11-12H,5-8H2,1-4H3/t11-,12+.
What are the key properties of (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide?
(2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 230.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,3,4,5-tetraethyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 162413317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).