1-amino-1-thiophen-2-ylpropan-2-one

C7H9NOS — CID 55294508

IUPAC1-amino-1-thiophen-2-ylpropan-2-one
SMILESCC(=O)C(N)c1cccs1
InChIInChI=1S/C7H9NOS/c1-5(9)7(8)6-3-2-4-10-6/h2-4,7H,8H2,1H3
InChIKeyXBHVNLKVXXJQSB-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.34
Rot. Bonds2

About 1-amino-1-thiophen-2-ylpropan-2-one

1-amino-1-thiophen-2-ylpropan-2-one (PubChem CID 55294508) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-amino-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-1-thiophen-2-ylpropan-2-one
PubChem CID55294508
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-amino-1-thiophen-2-ylpropan-2-one
SMILESCC(=O)C(N)c1cccs1
InChIInChI=1S/C7H9NOS/c1-5(9)7(8)6-3-2-4-10-6/h2-4,7H,8H2,1H3
InChIKeyXBHVNLKVXXJQSB-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
CID 116601464
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
1-amino-4-methyl-1-thiophen-2-ylhexan-2-one
CID 116601482
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
3,3-dimethylbutyl 2-amino-2-thiophen-2-ylacetate
CID 115285085
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-amino-1-thiophen-2-ylpropan-2-one (CID 55294508) is 1-amino-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-amino-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-amino-1-thiophen-2-ylpropan-2-one is CC(=O)C(N)c1cccs1.
What is the InChIKey of 1-amino-1-thiophen-2-ylpropan-2-one?
The InChIKey is XBHVNLKVXXJQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5(9)7(8)6-3-2-4-10-6/h2-4,7H,8H2,1H3.
What are the key properties of 1-amino-1-thiophen-2-ylpropan-2-one?
1-amino-1-thiophen-2-ylpropan-2-one has a molecular weight of 155.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 55294508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).