3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one

C11H16ClNOS — CID 116573539

IUPAC3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
SMILESCC(C)(N)C(C)(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-10(2,11(3,4)13)9(14)7-5-6-8(12)15-7/h5-6H,13H2,1-4H3
InChIKeyHOIWLFJFIHQEGY-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.35
Rot. Bonds3

About 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one

3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one (PubChem CID 116573539) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
PubChem CID116573539
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
SMILESCC(C)(N)C(C)(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-10(2,11(3,4)13)9(14)7-5-6-8(12)15-7/h5-6H,13H2,1-4H3
InChIKeyHOIWLFJFIHQEGY-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
CID 131075408
2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
CID 116556943
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
CID 116563850
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethyl-3-oxopropanoate
CID 116919231
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 116608376
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
5-chloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 66170632
4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid
CID 66090953
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one?
The IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one (CID 116573539) is 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one.
What is the SMILES notation for 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one?
The canonical SMILES for 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one is CC(C)(N)C(C)(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one?
The InChIKey is HOIWLFJFIHQEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-10(2,11(3,4)13)9(14)7-5-6-8(12)15-7/h5-6H,13H2,1-4H3.
What are the key properties of 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one?
3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one has a molecular weight of 245.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one is sourced from PubChem (CID 116573539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).