1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone

C14H21NO2S — CID 43797490

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)C2CCOCC2)c(C)s1
InChIInChI=1S/C14H21NO2S/c1-10-8-13(11(2)18-10)14(16)9-15(3)12-4-6-17-7-5-12/h8,12H,4-7,9H2,1-3H3
InChIKeyMXAKZQNXNXZEAQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.66
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone

1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone (PubChem CID 43797490) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
PubChem CID43797490
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
SMILESCc1cc(C(=O)CN(C)C2CCOCC2)c(C)s1
InChIInChI=1S/C14H21NO2S/c1-10-8-13(11(2)18-10)14(16)9-15(3)12-4-6-17-7-5-12/h8,12H,4-7,9H2,1-3H3
InChIKeyMXAKZQNXNXZEAQ-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone (CID 43797490) is 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone is Cc1cc(C(=O)CN(C)C2CCOCC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone?
The InChIKey is MXAKZQNXNXZEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-8-13(11(2)18-10)14(16)9-15(3)12-4-6-17-7-5-12/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone has a molecular weight of 267.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone is sourced from PubChem (CID 43797490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).