2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one

C10H15NOS — CID 116587029

IUPAC2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCNCC(C)C(=O)c1csc(C)c1
InChIInChI=1S/C10H15NOS/c1-7(5-11-3)10(12)9-4-8(2)13-6-9/h4,6-7,11H,5H2,1-3H3
InChIKeyXZDYBQSHWQYDBB-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.09
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one

2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one (PubChem CID 116587029) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one
PubChem CID116587029
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one
SMILESCNCC(C)C(=O)c1csc(C)c1
InChIInChI=1S/C10H15NOS/c1-7(5-11-3)10(12)9-4-8(2)13-6-9/h4,6-7,11H,5H2,1-3H3
InChIKeyXZDYBQSHWQYDBB-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 103451508
2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 79617007
2-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-one
CID 116708572
2-(aminomethyl)-3-methyl-1-(5-methylthiophen-3-yl)butan-1-one
CID 116574089
2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
CID 116553665
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone
CID 105106137
N'-acetyl-5-methylthiophene-3-carbohydrazide
CID 131134139
1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586829
1-(5-iodothiophen-3-yl)-2-methylpentan-1-one
CID 107891258
4-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one (CID 116587029) is 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one is CNCC(C)C(=O)c1csc(C)c1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one?
The InChIKey is XZDYBQSHWQYDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(5-11-3)10(12)9-4-8(2)13-6-9/h4,6-7,11H,5H2,1-3H3.
What are the key properties of 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one?
2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one has a molecular weight of 197.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 116587029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).