3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride

C8H12ClNOS — CID 68922794

IUPAC3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride
SMILESCC(N)CC(=O)c1cccs1.Cl
InChIInChI=1S/C8H11NOS.ClH/c1-6(9)5-7(10)8-3-2-4-11-8;/h2-4,6H,5,9H2,1H3;1H
InChIKeyXJIIXLBPDBSKSI-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.09
Rot. Bonds3

About 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride

3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride (PubChem CID 68922794) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride
PubChem CID68922794
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride
SMILESCC(N)CC(=O)c1cccs1.Cl
InChIInChI=1S/C8H11NOS.ClH/c1-6(9)5-7(10)8-3-2-4-11-8;/h2-4,6H,5,9H2,1H3;1H
InChIKeyXJIIXLBPDBSKSI-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride (CID 68922794) is 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride is CC(N)CC(=O)c1cccs1.Cl.
What is the InChIKey of 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride?
The InChIKey is XJIIXLBPDBSKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS.ClH/c1-6(9)5-7(10)8-3-2-4-11-8;/h2-4,6H,5,9H2,1H3;1H.
What are the key properties of 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride?
3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-thiophen-2-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 68922794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).