1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone

C14H23NOS — CID 43796779

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)C(C)C(C)C)c(C)s1
InChIInChI=1S/C14H23NOS/c1-9(2)11(4)15(6)8-14(16)13-7-10(3)17-12(13)5/h7,9,11H,8H2,1-6H3
InChIKeyUSVXLRNRYFXZOQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.52
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone

1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone (PubChem CID 43796779) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
PubChem CID43796779
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)C(C)C(C)C)c(C)s1
InChIInChI=1S/C14H23NOS/c1-9(2)11(4)15(6)8-14(16)13-7-10(3)17-12(13)5/h7,9,11H,8H2,1-6H3
InChIKeyUSVXLRNRYFXZOQ-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone (CID 43796779) is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone is Cc1cc(C(=O)CN(C)C(C)C(C)C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone?
The InChIKey is USVXLRNRYFXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-9(2)11(4)15(6)8-14(16)13-7-10(3)17-12(13)5/h7,9,11H,8H2,1-6H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone has a molecular weight of 253.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone is sourced from PubChem (CID 43796779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).