1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole

C17H19NS — CID 6624867

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2Cc1csc2c1CCCC2
InChIInChI=1S/C17H19NS/c1-3-7-16-13(5-1)9-10-18(16)11-14-12-19-17-8-4-2-6-15(14)17/h1,3,5,7,12H,2,4,6,8-11H2
InChIKeyWNOKHLBPFNBTLE-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.19
Rot. Bonds2

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole

1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole (PubChem CID 6624867) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole
PubChem CID6624867
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2Cc1csc2c1CCCC2
InChIInChI=1S/C17H19NS/c1-3-7-16-13(5-1)9-10-18(16)11-14-12-19-17-8-4-2-6-15(14)17/h1,3,5,7,12H,2,4,6,8-11H2
InChIKeyWNOKHLBPFNBTLE-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole (CID 6624867) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole is c1ccc2c(c1)CCN2Cc1csc2c1CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole?
The InChIKey is WNOKHLBPFNBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-3-7-16-13(5-1)9-10-18(16)11-14-12-19-17-8-4-2-6-15(14)17/h1,3,5,7,12H,2,4,6,8-11H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole?
1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole has a molecular weight of 269.41 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 6624867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).