2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine

C15H21NS — CID 168764138

IUPAC2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine
SMILESC=C(c1ccc2c(c1)SCC2)C(CC)NCC
InChIInChI=1S/C15H21NS/c1-4-14(16-5-2)11(3)13-7-6-12-8-9-17-15(12)10-13/h6-7,10,14,16H,3-5,8-9H2,1-2H3
InChIKeyGCCSMXBXJVJEST-UHFFFAOYSA-N
MW247.41 g/mol
LogP3.74
Rot. Bonds5

About 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine

2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine (PubChem CID 168764138) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine
PubChem CID168764138
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine
SMILESC=C(c1ccc2c(c1)SCC2)C(CC)NCC
InChIInChI=1S/C15H21NS/c1-4-14(16-5-2)11(3)13-7-6-12-8-9-17-15(12)10-13/h6-7,10,14,16H,3-5,8-9H2,1-2H3
InChIKeyGCCSMXBXJVJEST-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine (CID 168764138) is 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine is C=C(c1ccc2c(c1)SCC2)C(CC)NCC.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine?
The InChIKey is GCCSMXBXJVJEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-4-14(16-5-2)11(3)13-7-6-12-8-9-17-15(12)10-13/h6-7,10,14,16H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine?
2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine has a molecular weight of 247.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethylpent-1-en-3-amine is sourced from PubChem (CID 168764138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).