1-(5-aminothiophen-2-yl)propan-1-one

C7H9NOS — CID 82372573

IUPAC1-(5-aminothiophen-2-yl)propan-1-one
SMILESCCC(=O)c1ccc(N)s1
InChIInChI=1S/C7H9NOS/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2,8H2,1H3
InChIKeyDSYYOCXPRNPZGY-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.92
Rot. Bonds2

About 1-(5-aminothiophen-2-yl)propan-1-one

1-(5-aminothiophen-2-yl)propan-1-one (PubChem CID 82372573) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(5-aminothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-aminothiophen-2-yl)propan-1-one
PubChem CID82372573
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-(5-aminothiophen-2-yl)propan-1-one
SMILESCCC(=O)c1ccc(N)s1
InChIInChI=1S/C7H9NOS/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2,8H2,1H3
InChIKeyDSYYOCXPRNPZGY-UHFFFAOYSA-N
XLogP1.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-aminothiophen-2-yl)propan-1-one?
The IUPAC name of 1-(5-aminothiophen-2-yl)propan-1-one (CID 82372573) is 1-(5-aminothiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-aminothiophen-2-yl)propan-1-one?
The canonical SMILES for 1-(5-aminothiophen-2-yl)propan-1-one is CCC(=O)c1ccc(N)s1.
What is the InChIKey of 1-(5-aminothiophen-2-yl)propan-1-one?
The InChIKey is DSYYOCXPRNPZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2,8H2,1H3.
What are the key properties of 1-(5-aminothiophen-2-yl)propan-1-one?
1-(5-aminothiophen-2-yl)propan-1-one has a molecular weight of 155.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminothiophen-2-yl)propan-1-one is sourced from PubChem (CID 82372573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).