3-amino-2-methyl-1-thiophen-3-ylpropan-1-one

C8H11NOS — CID 116564427

IUPAC3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
SMILESCC(CN)C(=O)c1ccsc1
InChIInChI=1S/C8H11NOS/c1-6(4-9)8(10)7-2-3-11-5-7/h2-3,5-6H,4,9H2,1H3
InChIKeyIXWYTTIKHOPTCG-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.53
Rot. Bonds3

About 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one

3-amino-2-methyl-1-thiophen-3-ylpropan-1-one (PubChem CID 116564427) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
PubChem CID116564427
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
SMILESCC(CN)C(=O)c1ccsc1
InChIInChI=1S/C8H11NOS/c1-6(4-9)8(10)7-2-3-11-5-7/h2-3,5-6H,4,9H2,1H3
InChIKeyIXWYTTIKHOPTCG-UHFFFAOYSA-N
XLogP1.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
2-(thiophene-3-carbonyl)butanamide
CID 90985419
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618
2-methyl-4-oxo-4-thiophen-3-ylbutanoic acid
CID 20529994
2-cyclopropyl-1-thiophen-3-ylpropan-1-one
CID 114975207
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578
3-amino-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
CID 107361410
2-methylsulfanyl-1,4-di(thiophen-3-yl)butane-1,4-dione
CID 24864782
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
CID 116564611
2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 65227352
methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one (CID 116564427) is 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one is CC(CN)C(=O)c1ccsc1.
What is the InChIKey of 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one?
The InChIKey is IXWYTTIKHOPTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6(4-9)8(10)7-2-3-11-5-7/h2-3,5-6H,4,9H2,1H3.
What are the key properties of 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one?
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one has a molecular weight of 169.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116564427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).