3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride

C9H14ClNOS — CID 2876891

IUPAC3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1cccs1.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyHPVHJPMLORARSR-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.30
Rot. Bonds4

About 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride

3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride (PubChem CID 2876891) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
PubChem CID2876891
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1cccs1.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H
InChIKeyHPVHJPMLORARSR-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride (CID 2876891) is 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride is CN(C)CCC(=O)c1cccs1.Cl.
What is the InChIKey of 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The InChIKey is HPVHJPMLORARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride?
3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 2876891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).