1-(4-aminothiophen-2-yl)-2-methylpropan-1-one

C8H11NOS — CID 82375055

IUPAC1-(4-aminothiophen-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(N)cs1
InChIInChI=1S/C8H11NOS/c1-5(2)8(10)7-3-6(9)4-11-7/h3-5H,9H2,1-2H3
InChIKeyZZKWNMZOPGNGGV-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.17
Rot. Bonds2

About 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one

1-(4-aminothiophen-2-yl)-2-methylpropan-1-one (PubChem CID 82375055) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminothiophen-2-yl)-2-methylpropan-1-one
PubChem CID82375055
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(4-aminothiophen-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(N)cs1
InChIInChI=1S/C8H11NOS/c1-5(2)8(10)7-3-6(9)4-11-7/h3-5H,9H2,1-2H3
InChIKeyZZKWNMZOPGNGGV-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one (CID 82375055) is 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(N)cs1.
What is the InChIKey of 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one?
The InChIKey is ZZKWNMZOPGNGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5(2)8(10)7-3-6(9)4-11-7/h3-5H,9H2,1-2H3.
What are the key properties of 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one?
1-(4-aminothiophen-2-yl)-2-methylpropan-1-one has a molecular weight of 169.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminothiophen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 82375055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).