1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one

C9H13NOS — CID 55294713

IUPAC1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one
SMILESCC(=O)C(N)c1cc(C)c(C)s1
InChIInChI=1S/C9H13NOS/c1-5-4-8(12-7(5)3)9(10)6(2)11/h4,9H,10H2,1-3H3
InChIKeyLAQKVJMJTXTVJL-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.95
Rot. Bonds2

About 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one

1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one (PubChem CID 55294713) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one
PubChem CID55294713
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one
SMILESCC(=O)C(N)c1cc(C)c(C)s1
InChIInChI=1S/C9H13NOS/c1-5-4-8(12-7(5)3)9(10)6(2)11/h4,9H,10H2,1-3H3
InChIKeyLAQKVJMJTXTVJL-UHFFFAOYSA-N
XLogP1.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one?
The IUPAC name of 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one (CID 55294713) is 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one.
What is the SMILES notation for 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one?
The canonical SMILES for 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one is CC(=O)C(N)c1cc(C)c(C)s1.
What is the InChIKey of 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one?
The InChIKey is LAQKVJMJTXTVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-5-4-8(12-7(5)3)9(10)6(2)11/h4,9H,10H2,1-3H3.
What are the key properties of 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one?
1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one has a molecular weight of 183.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one is sourced from PubChem (CID 55294713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).