2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one

C11H20N2O2S — CID 66289069

IUPAC2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one
SMILESCC(SCC1CNC1)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O2S/c1-9(16-8-10-6-12-7-10)11(14)13-2-4-15-5-3-13/h9-10,12H,2-8H2,1H3
InChIKeyYYXZYXRBUUUDPL-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.19
Rot. Bonds4

About 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one

2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 66289069) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one
PubChem CID66289069
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one
SMILESCC(SCC1CNC1)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O2S/c1-9(16-8-10-6-12-7-10)11(14)13-2-4-15-5-3-13/h9-10,12H,2-8H2,1H3
InChIKeyYYXZYXRBUUUDPL-UHFFFAOYSA-N
XLogP0.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65443671
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile
CID 79085884
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-(3,5-dimethylpiperazin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63874452
1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
CID 79705244
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
2-chloro-1-morpholin-4-ylhexan-1-one
CID 62226127
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one (CID 66289069) is 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one is CC(SCC1CNC1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is YYXZYXRBUUUDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-9(16-8-10-6-12-7-10)11(14)13-2-4-15-5-3-13/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one?
2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 244.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 66289069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).