4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one

C10H15NOS — CID 116600113

IUPAC4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
SMILESCC(C)(CN)C(=O)Cc1ccsc1
InChIInChI=1S/C10H15NOS/c1-10(2,7-11)9(12)5-8-3-4-13-6-8/h3-4,6H,5,7,11H2,1-2H3
InChIKeyAPJKUVFKMFWKIL-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one

4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one (PubChem CID 116600113) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
PubChem CID116600113
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
SMILESCC(C)(CN)C(=O)Cc1ccsc1
InChIInChI=1S/C10H15NOS/c1-10(2,7-11)9(12)5-8-3-4-13-6-8/h3-4,6H,5,7,11H2,1-2H3
InChIKeyAPJKUVFKMFWKIL-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
CID 14399209
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-3-ylacetamide
CID 79652303
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115968855
6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
CID 116613568
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one?
The IUPAC name of 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one (CID 116600113) is 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one.
What is the SMILES notation for 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one?
The canonical SMILES for 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one is CC(C)(CN)C(=O)Cc1ccsc1.
What is the InChIKey of 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one?
The InChIKey is APJKUVFKMFWKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,7-11)9(12)5-8-3-4-13-6-8/h3-4,6H,5,7,11H2,1-2H3.
What are the key properties of 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one?
4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one has a molecular weight of 197.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one is sourced from PubChem (CID 116600113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).