1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride

C11H18ClNOS — CID 70036600

IUPAC1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
SMILESCCN(CC)C(C(C)=O)c1cccs1.Cl
InChIInChI=1S/C11H17NOS.ClH/c1-4-12(5-2)11(9(3)13)10-7-6-8-14-10;/h6-8,11H,4-5H2,1-3H3;1H
InChIKeyBJLHSVPADKDCHO-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.14
Rot. Bonds5

About 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride

1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride (PubChem CID 70036600) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
PubChem CID70036600
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
SMILESCCN(CC)C(C(C)=O)c1cccs1.Cl
InChIInChI=1S/C11H17NOS.ClH/c1-4-12(5-2)11(9(3)13)10-7-6-8-14-10;/h6-8,11H,4-5H2,1-3H3;1H
InChIKeyBJLHSVPADKDCHO-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
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CID 65065392
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CID 115575874

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride?
The IUPAC name of 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride (CID 70036600) is 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride.
What is the SMILES notation for 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride?
The canonical SMILES for 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride is CCN(CC)C(C(C)=O)c1cccs1.Cl.
What is the InChIKey of 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride?
The InChIKey is BJLHSVPADKDCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS.ClH/c1-4-12(5-2)11(9(3)13)10-7-6-8-14-10;/h6-8,11H,4-5H2,1-3H3;1H.
What are the key properties of 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride?
1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride has a molecular weight of 247.79 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride is sourced from PubChem (CID 70036600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).