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

C9H13NOS — CID 57051031

IUPAC3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
SMILESCC(C)(N)C(=O)Cc1cccs1
InChIInChI=1S/C9H13NOS/c1-9(2,10)8(11)6-7-4-3-5-12-7/h3-5H,6,10H2,1-2H3
InChIKeyNTMSVWRWBQQYRS-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.60
Rot. Bonds3

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

3-amino-3-methyl-1-thiophen-2-ylbutan-2-one (PubChem CID 57051031) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
PubChem CID57051031
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
SMILESCC(C)(N)C(=O)Cc1cccs1
InChIInChI=1S/C9H13NOS/c1-9(2,10)8(11)6-7-4-3-5-12-7/h3-5H,6,10H2,1-2H3
InChIKeyNTMSVWRWBQQYRS-UHFFFAOYSA-N
XLogP1.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70426530
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
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N-(1-aminooxy-2-methylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 39247410
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
1-(4-tert-butyl-2,6-dimethylphenyl)-3-thiophen-2-ylpropan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one?
The IUPAC name of 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one (CID 57051031) is 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one?
The canonical SMILES for 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one is CC(C)(N)C(=O)Cc1cccs1.
What is the InChIKey of 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one?
The InChIKey is NTMSVWRWBQQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2,10)8(11)6-7-4-3-5-12-7/h3-5H,6,10H2,1-2H3.
What are the key properties of 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one?
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one has a molecular weight of 183.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 57051031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).