1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one

C9H13NOS — CID 65355236

IUPAC1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one
SMILESCc1cc(C(=O)C(C)C)c(N)s1
InChIInChI=1S/C9H13NOS/c1-5(2)8(11)7-4-6(3)12-9(7)10/h4-5H,10H2,1-3H3
InChIKeyFPHYKADNQPQEDQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.48
Rot. Bonds2

About 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one

1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one (PubChem CID 65355236) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one
PubChem CID65355236
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one
SMILESCc1cc(C(=O)C(C)C)c(N)s1
InChIInChI=1S/C9H13NOS/c1-5(2)8(11)7-4-6(3)12-9(7)10/h4-5H,10H2,1-3H3
InChIKeyFPHYKADNQPQEDQ-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one (CID 65355236) is 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one is Cc1cc(C(=O)C(C)C)c(N)s1.
What is the InChIKey of 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one?
The InChIKey is FPHYKADNQPQEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-5(2)8(11)7-4-6(3)12-9(7)10/h4-5H,10H2,1-3H3.
What are the key properties of 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one?
1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one has a molecular weight of 183.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylthiophen-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 65355236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).