1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol

C16H19NOS — CID 62843709

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2C1CCCc2sccc21
InChIInChI=1S/C16H19NOS/c18-15-5-1-3-13-11(15)7-9-17(13)14-4-2-6-16-12(14)8-10-19-16/h7-10,14-15,18H,1-6H2
InChIKeyWJMDWBXZFLOPEL-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.85
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 62843709) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID62843709
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2C1CCCc2sccc21
InChIInChI=1S/C16H19NOS/c18-15-5-1-3-13-11(15)7-9-17(13)14-4-2-6-16-12(14)8-10-19-16/h7-10,14-15,18H,1-6H2
InChIKeyWJMDWBXZFLOPEL-UHFFFAOYSA-N
XLogP3.85
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol with MolForge

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Related Compounds

(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
CID 92977551
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one
CID 55126948
[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)azetidin-3-yl]oxidanium
CID 142063120
2-[4-oxo-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-2-yl]sulfanylacetic acid
CID 62844752
5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62840410
5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one
CID 64670016
8-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62843533
N,2-dimethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-4-amine
CID 62842394
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrolidin-3-amine
CID 62840592
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)piperidin-3-amine
CID 62840248
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
CID 62845453
1-(thiolan-2-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 80586158

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol (CID 62843709) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1ccn2C1CCCc2sccc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is WJMDWBXZFLOPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-15-5-1-3-13-11(15)7-9-17(13)14-4-2-6-16-12(14)8-10-19-16/h7-10,14-15,18H,1-6H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 273.40 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 62843709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).