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

C8H12ClNOS — CID 10035872

IUPAC3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCNCCC(=O)c1cccs1.Cl
InChIInChI=1S/C8H11NOS.ClH/c1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6,9H,4-5H2,1H3;1H
InChIKeyXVOVLSVOAJYLHZ-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.96
Rot. Bonds4

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

3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride (PubChem CID 10035872) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
PubChem CID10035872
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCNCCC(=O)c1cccs1.Cl
InChIInChI=1S/C8H11NOS.ClH/c1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6,9H,4-5H2,1H3;1H
InChIKeyXVOVLSVOAJYLHZ-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride (CID 10035872) is 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride is CNCCC(=O)c1cccs1.Cl.
What is the InChIKey of 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The InChIKey is XVOVLSVOAJYLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS.ClH/c1-9-5-4-7(10)8-3-2-6-11-8;/h2-3,6,9H,4-5H2,1H3;1H.
What are the key properties of 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride?
3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 10035872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).