N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C15H18N2S — CID 62842143

IUPACN-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESc1cncc(CCNC2CCCc3sccc32)c1
InChIInChI=1S/C15H18N2S/c1-4-14(13-7-10-18-15(13)5-1)17-9-6-12-3-2-8-16-11-12/h2-3,7-8,10-11,14,17H,1,4-6,9H2
InChIKeyAWYVYGJVWFFPQL-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.35
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 62842143) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID62842143
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESc1cncc(CCNC2CCCc3sccc32)c1
InChIInChI=1S/C15H18N2S/c1-4-14(13-7-10-18-15(13)5-1)17-9-6-12-3-2-8-16-11-12/h2-3,7-8,10-11,14,17H,1,4-6,9H2
InChIKeyAWYVYGJVWFFPQL-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 62842143) is N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is c1cncc(CCNC2CCCc3sccc32)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is AWYVYGJVWFFPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-4-14(13-7-10-18-15(13)5-1)17-9-6-12-3-2-8-16-11-12/h2-3,7-8,10-11,14,17H,1,4-6,9H2.
What are the key properties of N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 258.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 62842143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).