1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone

C14H20N2O2S — CID 77096687

IUPAC1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CC(N3CCOCC3)C2)cs1
InChIInChI=1S/C14H20N2O2S/c1-11(17)14-6-12(10-19-14)7-15-8-13(9-15)16-2-4-18-5-3-16/h6,10,13H,2-5,7-9H2,1H3
InChIKeyGSNZQJMEBBNSBA-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.47
Rot. Bonds4

About 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone

1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone (PubChem CID 77096687) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone
PubChem CID77096687
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CC(N3CCOCC3)C2)cs1
InChIInChI=1S/C14H20N2O2S/c1-11(17)14-6-12(10-19-14)7-15-8-13(9-15)16-2-4-18-5-3-16/h6,10,13H,2-5,7-9H2,1H3
InChIKeyGSNZQJMEBBNSBA-UHFFFAOYSA-N
XLogP1.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-{[3-(2-Hydroxyethyl)-4-(3-methylbutyl)-1-piperazinyl]methyl}-2-thienyl)ethanone
CID 16190257
1-(4-{[3-(2-Hydroxyethyl)-4-(3-methyl-2-buten-1-yl)-1-piperazinyl]methyl}-2-thienyl)ethanone
CID 16191359
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylthiophen-3-yl)-methanone
CID 11544608
1-(4-{[3-(2-Hydroxyethyl)-4-isopropyl-1-piperazinyl]methyl}-2-thienyl)ethanone
CID 16189985
1-(4-{[4-Cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-thienyl)ethanone
CID 16188338
(5-Methyl-3-thienyl)-4-morpholinylmethanone
CID 802791
5-ethyl-N-[2-(morpholin-4-yl)ethyl]thiophene-3-carboxamide
CID 17217340
2-Methyl-1-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropan-1-one
CID 11969500
4-[(5-acetyl-3-thienyl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 77082456
5-Methyl-4-(morpholin-4-ylmethyl)thiophene-2-carbaldehyde
CID 4912936
1-(4-{[3-(4-Morpholinyl)-1-piperidinyl]carbonyl}-2-thienyl)ethanone
CID 45171914
Morpholin-4-yl[5-(propan-2-yl)thiophen-3-yl]methanone
CID 17191050

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone (CID 77096687) is 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone is CC(=O)c1cc(CN2CC(N3CCOCC3)C2)cs1.
What is the InChIKey of 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone?
The InChIKey is GSNZQJMEBBNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(17)14-6-12(10-19-14)7-15-8-13(9-15)16-2-4-18-5-3-16/h6,10,13H,2-5,7-9H2,1H3.
What are the key properties of 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone?
1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone has a molecular weight of 280.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 77096687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).