1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one

C15H23NO2S — CID 129273860

IUPAC1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one
SMILESCCC(=O)c1csc(N(CC)C2CCOCC2)c1C
InChIInChI=1S/C15H23NO2S/c1-4-14(17)13-10-19-15(11(13)3)16(5-2)12-6-8-18-9-7-12/h10,12H,4-9H2,1-3H3
InChIKeyTZQMJVYERCOHQD-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.65
Rot. Bonds5

About 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one

1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one (PubChem CID 129273860) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one
PubChem CID129273860
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one
SMILESCCC(=O)c1csc(N(CC)C2CCOCC2)c1C
InChIInChI=1S/C15H23NO2S/c1-4-14(17)13-10-19-15(11(13)3)16(5-2)12-6-8-18-9-7-12/h10,12H,4-9H2,1-3H3
InChIKeyTZQMJVYERCOHQD-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one?
The IUPAC name of 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one (CID 129273860) is 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one.
What is the SMILES notation for 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one?
The canonical SMILES for 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one is CCC(=O)c1csc(N(CC)C2CCOCC2)c1C.
What is the InChIKey of 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one?
The InChIKey is TZQMJVYERCOHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-14(17)13-10-19-15(11(13)3)16(5-2)12-6-8-18-9-7-12/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one?
1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one has a molecular weight of 281.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[ethyl(oxan-4-yl)amino]-4-methylthiophen-3-yl]propan-1-one is sourced from PubChem (CID 129273860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).