5-amino-5-(1-benzothiophen-3-yl)pentan-2-one

C13H15NOS — CID 116940781

IUPAC5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
SMILESCC(=O)CCC(N)c1csc2ccccc12
InChIInChI=1S/C13H15NOS/c1-9(15)6-7-12(14)11-8-16-13-5-3-2-4-10(11)13/h2-5,8,12H,6-7,14H2,1H3
InChIKeyKJSOOIFWDUUCNW-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.27
Rot. Bonds4

About 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one

5-amino-5-(1-benzothiophen-3-yl)pentan-2-one (PubChem CID 116940781) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
PubChem CID116940781
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
SMILESCC(=O)CCC(N)c1csc2ccccc12
InChIInChI=1S/C13H15NOS/c1-9(15)6-7-12(14)11-8-16-13-5-3-2-4-10(11)13/h2-5,8,12H,6-7,14H2,1H3
InChIKeyKJSOOIFWDUUCNW-UHFFFAOYSA-N
XLogP3.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
CID 61328580
3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116850079
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171224605
ethyl 5-amino-5-(1-benzothiophen-3-yl)-3-methylpentanoate
CID 62942009
5-amino-5-(2-fluorophenyl)pentan-2-one
CID 116940768
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
CID 68972931
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one?
The IUPAC name of 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one (CID 116940781) is 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one?
The canonical SMILES for 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one is CC(=O)CCC(N)c1csc2ccccc12.
What is the InChIKey of 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one?
The InChIKey is KJSOOIFWDUUCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9(15)6-7-12(14)11-8-16-13-5-3-2-4-10(11)13/h2-5,8,12H,6-7,14H2,1H3.
What are the key properties of 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one?
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one has a molecular weight of 233.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(1-benzothiophen-3-yl)pentan-2-one is sourced from PubChem (CID 116940781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).