(6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide

C10H14O2S — CID 5364374

IUPAC(6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide
SMILESO=S1(=O)CC2=C(CC/C=C\CC2)C1
InChIInChI=1S/C10H14O2S/c11-13(12)7-9-5-3-1-2-4-6-10(9)8-13/h1-2H,3-8H2/b2-1-
InChIKeyBKOBKQBHMIUPPL-UPHRSURJSA-N
MW198.29 g/mol
LogP1.84
Rot. Bonds

About (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide

(6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide (PubChem CID 5364374) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide.

Molecular Properties

Compound Name(6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide
PubChem CID5364374
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide
SMILESO=S1(=O)CC2=C(CC/C=C\CC2)C1
InChIInChI=1S/C10H14O2S/c11-13(12)7-9-5-3-1-2-4-6-10(9)8-13/h1-2H,3-8H2/b2-1-
InChIKeyBKOBKQBHMIUPPL-UPHRSURJSA-N
XLogP1.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.84
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-2,4-dimethyl-, 1,1-dioxide
CID 24839
Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
(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
(1Z,3S)-3-tert-butylsulfonylcyclooctene
CID 15550937
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
2,3-Dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 458305
2,5-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 13441953
2-[(2E)-penta-2,4-dienyl]-2,5-dihydrothiophene 1,1-dioxide
CID 11019544
2-Allyl-3-sulfolene
CID 13441948

Frequently Asked Questions

What is the IUPAC name of (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide?
The IUPAC name of (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide (CID 5364374) is (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide.
What is the SMILES notation for (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide?
The canonical SMILES for (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide is O=S1(=O)CC2=C(CC/C=C\CC2)C1.
What is the InChIKey of (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide?
The InChIKey is BKOBKQBHMIUPPL-UPHRSURJSA-N. The full InChI is InChI=1S/C10H14O2S/c11-13(12)7-9-5-3-1-2-4-6-10(9)8-13/h1-2H,3-8H2/b2-1-.
What are the key properties of (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide?
(6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide has a molecular weight of 198.29 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1,3,4,5,8,9-hexahydrocycloocta[c]thiophene 2,2-dioxide is sourced from PubChem (CID 5364374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).