3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one

C11H16ClNOS — CID 116608376

IUPAC3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
SMILESCC(C)(C)C(N)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-11(2,3)9(13)6-7(14)8-4-5-10(12)15-8/h4-5,9H,6,13H2,1-3H3
InChIKeyHIGSTFCJEHWNJZ-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.35
Rot. Bonds3

About 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one

3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one (PubChem CID 116608376) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
PubChem CID116608376
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
SMILESCC(C)(C)C(N)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-11(2,3)9(13)6-7(14)8-4-5-10(12)15-8/h4-5,9H,6,13H2,1-3H3
InChIKeyHIGSTFCJEHWNJZ-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 ≤ 500245.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 83226237
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
3-amino-1-(3-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 107361556
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
CID 116573539
1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 55010591
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
6-amino-1-(5-chlorothiophen-2-yl)-4-methylhexan-1-one
CID 116581530
2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
CID 116556943

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one?
The IUPAC name of 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one (CID 116608376) is 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one is CC(C)(C)C(N)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one?
The InChIKey is HIGSTFCJEHWNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-11(2,3)9(13)6-7(14)8-4-5-10(12)15-8/h4-5,9H,6,13H2,1-3H3.
What are the key properties of 3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one?
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one has a molecular weight of 245.77 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)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 116608376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).