1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one

C16H21NOS — CID 81152756

IUPAC1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1cccc2ccsc12
InChIInChI=1S/C16H21NOS/c1-5-17(6-2)16(3,4)15(18)13-9-7-8-12-10-11-19-14(12)13/h7-11H,5-6H2,1-4H3
InChIKeyKODZRGHVIZYJOP-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.20
Rot. Bonds5

About 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one

1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one (PubChem CID 81152756) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one
PubChem CID81152756
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1cccc2ccsc12
InChIInChI=1S/C16H21NOS/c1-5-17(6-2)16(3,4)15(18)13-9-7-8-12-10-11-19-14(12)13/h7-11H,5-6H2,1-4H3
InChIKeyKODZRGHVIZYJOP-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one (CID 81152756) is 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one is CCN(CC)C(C)(C)C(=O)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one?
The InChIKey is KODZRGHVIZYJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-5-17(6-2)16(3,4)15(18)13-9-7-8-12-10-11-19-14(12)13/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one?
1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one has a molecular weight of 275.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(diethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 81152756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).