1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine

C14H15NS — CID 104995348

IUPAC1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1csc2ccccc12
InChIInChI=1S/C14H15NS/c1-3-9-15-13(4-2)12-10-16-14-8-6-5-7-11(12)14/h2,5-8,10,13,15H,3,9H2,1H3
InChIKeyGUWLEIUOXGOAGF-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.58
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine

1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine (PubChem CID 104995348) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
PubChem CID104995348
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1csc2ccccc12
InChIInChI=1S/C14H15NS/c1-3-9-15-13(4-2)12-10-16-14-8-6-5-7-11(12)14/h2,5-8,10,13,15H,3,9H2,1H3
InChIKeyGUWLEIUOXGOAGF-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497218
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
1-(1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105037075
N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 43497207
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699635
1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660798
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79973512
N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106684309
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine (CID 104995348) is 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine is C#CC(NCCC)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine?
The InChIKey is GUWLEIUOXGOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-3-9-15-13(4-2)12-10-16-14-8-6-5-7-11(12)14/h2,5-8,10,13,15H,3,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine?
1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine has a molecular weight of 229.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 104995348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).