N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H15NOS — CID 115466145

IUPACN-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2Nc1ccc2sccc2c1
InChIInChI=1S/C16H15NOS/c1-2-14(13-6-8-18-15(13)3-1)17-12-4-5-16-11(10-12)7-9-19-16/h4-10,14,17H,1-3H2
InChIKeyFHUTZKJMJHRAJV-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.98
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466145) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466145
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC NameN-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2Nc1ccc2sccc2c1
InChIInChI=1S/C16H15NOS/c1-2-14(13-6-8-18-15(13)3-1)17-12-4-5-16-11(10-12)7-9-19-16/h4-10,14,17H,1-3H2
InChIKeyFHUTZKJMJHRAJV-UHFFFAOYSA-N
XLogP4.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466145) is N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc2c(o1)CCCC2Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is FHUTZKJMJHRAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-2-14(13-6-8-18-15(13)3-1)17-12-4-5-16-11(10-12)7-9-19-16/h4-10,14,17H,1-3H2.
What are the key properties of N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 269.37 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).