1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone

C13H15NOS — CID 116562808

IUPAC1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1cccc2ccsc12
InChIInChI=1S/C13H15NOS/c1-2-7-14-9-12(15)11-5-3-4-10-6-8-16-13(10)11/h3-6,8,14H,2,7,9H2,1H3
InChIKeyQDSJCYCWVZGERF-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.08
Rot. Bonds5

About 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone

1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone (PubChem CID 116562808) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
PubChem CID116562808
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1cccc2ccsc12
InChIInChI=1S/C13H15NOS/c1-2-7-14-9-12(15)11-5-3-4-10-6-8-16-13(10)11/h3-6,8,14H,2,7,9H2,1H3
InChIKeyQDSJCYCWVZGERF-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-7-yl)-2-(butan-2-ylamino)ethanone
CID 116556159
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-(1-benzothiophen-7-yl)-2-methylsulfonylethanone
CID 115791050
1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105122134
3-(aminomethyl)-1-(1-benzothiophen-7-yl)pentan-1-one
CID 116596251
1-(1-benzothiophen-7-yl)-2-cycloheptylethanone
CID 115791021
1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558918
N-(2-chloroethyl)-1-benzothiophene-7-carboxamide
CID 130770736
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
N-[[2-(1-benzothiophen-7-yl)phenyl]methyl]propan-1-amine
CID 81153617
1-(1-benzothiophen-7-yl)-2-methoxybutan-1-one
CID 116707119
5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one
CID 116607538

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone (CID 116562808) is 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone is CCCNCC(=O)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone?
The InChIKey is QDSJCYCWVZGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-7-14-9-12(15)11-5-3-4-10-6-8-16-13(10)11/h3-6,8,14H,2,7,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone?
1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone has a molecular weight of 233.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone is sourced from PubChem (CID 116562808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).