1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone

C13H20ClNOS — CID 55010591

IUPAC1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
SMILESCC(N(C)CC(=O)c1ccc(Cl)s1)C(C)(C)C
InChIInChI=1S/C13H20ClNOS/c1-9(13(2,3)4)15(5)8-10(16)11-6-7-12(14)17-11/h6-7,9H,8H2,1-5H3
InChIKeyZOTZFJZQEXACOK-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.95
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone

1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone (PubChem CID 55010591) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
PubChem CID55010591
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
SMILESCC(N(C)CC(=O)c1ccc(Cl)s1)C(C)(C)C
InChIInChI=1S/C13H20ClNOS/c1-9(13(2,3)4)15(5)8-10(16)11-6-7-12(14)17-11/h6-7,9H,8H2,1-5H3
InChIKeyZOTZFJZQEXACOK-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
1-(5-chlorothiophen-2-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428736
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 62050605
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 116608376
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 55010640
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
1-(5-chlorothiophen-2-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661989
1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984356
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone (CID 55010591) is 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone is CC(N(C)CC(=O)c1ccc(Cl)s1)C(C)(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone?
The InChIKey is ZOTZFJZQEXACOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-9(13(2,3)4)15(5)8-10(16)11-6-7-12(14)17-11/h6-7,9H,8H2,1-5H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone?
1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone has a molecular weight of 273.83 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone is sourced from PubChem (CID 55010591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).