5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide

C9H12O2S — CID 135036431

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide
SMILESO=S1(=O)C=CC2=C1CCCCC2
InChIInChI=1S/C9H12O2S/c10-12(11)7-6-8-4-2-1-3-5-9(8)12/h6-7H,1-5H2
InChIKeyUTMYITHQJPIMJC-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.15
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide (PubChem CID 135036431) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide
PubChem CID135036431
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide
SMILESO=S1(=O)C=CC2=C1CCCCC2
InChIInChI=1S/C9H12O2S/c10-12(11)7-6-8-4-2-1-3-5-9(8)12/h6-7H,1-5H2
InChIKeyUTMYITHQJPIMJC-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxathiole 3,3-dioxide
CID 13301262
4,5,6,7-tetrahydro-1λ6,3λ6,2-benzodithiazole 1,1,3,3-tetraoxide
CID 153015053
ethane;1,2,3,4,5,8-hexahydroheptalene
CID 143157913
tetracyclo[12.12.8.13,25.112,16]hexatriaconta-1(26),2,12,14,16(36),25(35)-hexaene
CID 134982376
tetracyclo[9.9.5.13,19.19,13]heptacosa-1(20),2,9,11,13(27),19(26)-hexaene
CID 134981771
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
CID 23567733
tetracyclo[10.6.2.13,17.110,14]docosa-1(18),2,10,12,14(22),15,17(21),19-octaene
CID 10731981
tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene
CID 154168790
(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
5λ6,18λ6-dithiatricyclo[18.15.1.03,21]hexatriaconta-1,3(21),20(36)-triene 5,5,18,18-tetraoxide
CID 10886494
cyclododecanone
CID 141308130

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide (CID 135036431) is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide is O=S1(=O)C=CC2=C1CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide?
The InChIKey is UTMYITHQJPIMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c10-12(11)7-6-8-4-2-1-3-5-9(8)12/h6-7H,1-5H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide?
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide has a molecular weight of 184.26 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene 1,1-dioxide is sourced from PubChem (CID 135036431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).