2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one

C9H13NO2S — CID 116567437

IUPAC2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
SMILESCOCCC(N)C(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-12-5-4-7(10)9(11)8-3-2-6-13-8/h2-3,6-7H,4-5,10H2,1H3
InChIKeyXAPCLBLHEAPGJP-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.29
Rot. Bonds5

About 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one

2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one (PubChem CID 116567437) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
PubChem CID116567437
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
SMILESCOCCC(N)C(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-12-5-4-7(10)9(11)8-3-2-6-13-8/h2-3,6-7H,4-5,10H2,1H3
InChIKeyXAPCLBLHEAPGJP-UHFFFAOYSA-N
XLogP1.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate
CID 62479012
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
methyl 4-(2-methoxyethylamino)-5-oxo-5-thiophen-2-ylpentanoate
CID 82348695
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
2-amino-3-oxo-3-thiophen-2-ylpropanoic acid
CID 23461562
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
CID 116567442
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
ethyl 2-chloro-3-oxo-3-thiophen-2-ylpropanoate
CID 57214731

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one (CID 116567437) is 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one is COCCC(N)C(=O)c1cccs1.
What is the InChIKey of 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one?
The InChIKey is XAPCLBLHEAPGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-12-5-4-7(10)9(11)8-3-2-6-13-8/h2-3,6-7H,4-5,10H2,1H3.
What are the key properties of 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one?
2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one has a molecular weight of 199.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 116567437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).