5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one

C14H17NOS — CID 116607538

IUPAC5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)c1cccc2ccsc12
InChIInChI=1S/C14H17NOS/c1-10(9-15)5-6-13(16)12-4-2-3-11-7-8-17-14(11)12/h2-4,7-8,10H,5-6,9,15H2,1H3
InChIKeyXKEUOBXHLOAELH-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.46
Rot. Bonds5

About 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one

5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one (PubChem CID 116607538) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one
PubChem CID116607538
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)c1cccc2ccsc12
InChIInChI=1S/C14H17NOS/c1-10(9-15)5-6-13(16)12-4-2-3-11-7-8-17-14(11)12/h2-4,7-8,10H,5-6,9,15H2,1H3
InChIKeyXKEUOBXHLOAELH-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(1-benzothiophen-7-yl)pentan-1-one
CID 116596251
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-(1-benzothiophen-7-yl)-2-(butan-2-ylamino)ethanone
CID 116556159
1-(1-benzothiophen-7-yl)-2-methylsulfonylethanone
CID 115791050
3-(3-aminophenyl)-1-(1-benzothiophen-7-yl)propan-1-one
CID 116603355
1-(1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105122134
1-(1-benzothiophen-7-yl)-2-(propylamino)ethanone
CID 116562808
1-(1-benzothiophen-7-yl)-2-(2-methylphenyl)sulfanylethanone
CID 81153663
5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
CID 116607622
1-(1-benzothiophen-7-yl)-2-ethoxypentan-1-one
CID 116707740
1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558918

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one (CID 116607538) is 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one is CC(CN)CCC(=O)c1cccc2ccsc12.
What is the InChIKey of 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one?
The InChIKey is XKEUOBXHLOAELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10(9-15)5-6-13(16)12-4-2-3-11-7-8-17-14(11)12/h2-4,7-8,10H,5-6,9,15H2,1H3.
What are the key properties of 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one?
5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one has a molecular weight of 247.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-benzothiophen-7-yl)-4-methylpentan-1-one is sourced from PubChem (CID 116607538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).