1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol

C16H26OS2 — CID 114981391

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H26OS2/c1-3-5-6-12(4-2)9-14(17)16-10-13-11-18-8-7-15(13)19-16/h10,12,14,17H,3-9,11H2,1-2H3
InChIKeyKQOQNSZZYGNIPF-UHFFFAOYSA-N
MW298.52 g/mol
LogP5.18
Rot. Bonds7

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol (PubChem CID 114981391) has the molecular formula C16H26OS2 and a molecular weight of 298.52 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol
PubChem CID114981391
Molecular FormulaC16H26OS2
Molecular Weight298.52 g/mol
Exact Mass298.14
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H26OS2/c1-3-5-6-12(4-2)9-14(17)16-10-13-11-18-8-7-15(13)19-16/h10,12,14,17H,3-9,11H2,1-2H3
InChIKeyKQOQNSZZYGNIPF-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol 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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)nonylhydrazine
CID 105294340
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-amine
CID 115845468
1-(4-bromo-5-methylthiophen-2-yl)-3-ethylheptan-1-ol
CID 102829735
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylcyclohexyl)methanol
CID 115807430
2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115782584
2-(2-bromophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 114977261
2-(2-chloro-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115785402
2-(2-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115786936
2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115822790
N-[2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]propan-1-amine
CID 102653289
2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115779710

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol (CID 114981391) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol is CCCCC(CC)CC(O)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol?
The InChIKey is KQOQNSZZYGNIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS2/c1-3-5-6-12(4-2)9-14(17)16-10-13-11-18-8-7-15(13)19-16/h10,12,14,17H,3-9,11H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol has a molecular weight of 298.52 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol is sourced from PubChem (CID 114981391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).