ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide

C17H20O2S — CID 164875727

IUPACethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide
SMILESCC.CC1C=CC2=C(C=C1)S(=O)(=O)c1ccccc1C2
InChIInChI=1S/C15H14O2S.C2H6/c1-11-6-8-13-10-12-4-2-3-5-14(12)18(16,17)15(13)9-7-11;1-2/h2-9,11H,10H2,1H3;1-2H3
InChIKeyXTOUVLDMSSMXHA-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.06
Rot. Bonds

About ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide

ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide (PubChem CID 164875727) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide.

Molecular Properties

Compound Nameethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide
PubChem CID164875727
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Nameethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide
SMILESCC.CC1C=CC2=C(C=C1)S(=O)(=O)c1ccccc1C2
InChIInChI=1S/C15H14O2S.C2H6/c1-11-6-8-13-10-12-4-2-3-5-14(12)18(16,17)15(13)9-7-11;1-2/h2-9,11H,10H2,1H3;1-2H3
InChIKeyXTOUVLDMSSMXHA-UHFFFAOYSA-N
XLogP4.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-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

ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene
CID 145348138
3-methyl-9H-thioxanthene 10,10-dioxide
CID 126688682
dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide
CID 167573355
4-methyl-9H-thioxanthene 10,10-dioxide
CID 134335108
3-ethyl-9H-thioxanthene 10,10-dioxide
CID 157269849
13-methyltricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,14-pentaene
CID 142906688
ethane;tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-one
CID 91439303
2-methyl-2,3,4,5-tetrahydro-1λ6,4-benzothiazepine 1,1-dioxide
CID 83835045
4-methyl-2,3,4,5-tetrahydro-1λ6-benzothiepine 1,1-dioxide
CID 143356879
2,3-dihydroxy-11,11-dioxo-6H-benzo[b][1]benzothiepin-5-one
CID 18340927
2-methyl-10,10-dioxo-9H-thioxanthene-3-sulfonyl chloride
CID 87719750
6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole
CID 142981281

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide?
The IUPAC name of ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide (CID 164875727) is ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide.
What is the SMILES notation for ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide?
The canonical SMILES for ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide is CC.CC1C=CC2=C(C=C1)S(=O)(=O)c1ccccc1C2.
What is the InChIKey of ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide?
The InChIKey is XTOUVLDMSSMXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S.C2H6/c1-11-6-8-13-10-12-4-2-3-5-14(12)18(16,17)15(13)9-7-11;1-2/h2-9,11H,10H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide?
ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide has a molecular weight of 288.41 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide is sourced from PubChem (CID 164875727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).