(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one

C18H24N2O3S — CID 97189362

IUPAC(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one
SMILESCCc1ccccc1OC1CN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)C1
InChIInChI=1S/C18H24N2O3S/c1-4-12-7-5-6-8-15(12)23-13-9-20(10-13)16(21)14-11-24-18(2,3)17(22)19-14/h5-8,13-14H,4,9-11H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyXBOWZUXLAUWGEW-AWEZNQCLSA-N
MW348.47 g/mol
LogP1.85
Rot. Bonds4

About (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one

(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one (PubChem CID 97189362) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one.

Molecular Properties

Compound Name(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one
PubChem CID97189362
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one
SMILESCCc1ccccc1OC1CN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)C1
InChIInChI=1S/C18H24N2O3S/c1-4-12-7-5-6-8-15(12)23-13-9-20(10-13)16(21)14-11-24-18(2,3)17(22)19-14/h5-8,13-14H,4,9-11H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyXBOWZUXLAUWGEW-AWEZNQCLSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97277699
(3-cyclopropyl-5-methylpyrazolidin-4-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 134081054
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97209081
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
CID 97286093
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
(3R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 95193249
4-[3-(2-ethylphenoxy)azetidin-1-yl]piperidine
CID 56708998
(1-ethyl-5-methylpyrazol-3-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70719596
[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70710333

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one?
The IUPAC name of (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one (CID 97189362) is (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one.
What is the SMILES notation for (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one?
The canonical SMILES for (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one is CCc1ccccc1OC1CN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)C1.
What is the InChIKey of (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one?
The InChIKey is XBOWZUXLAUWGEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-12-7-5-6-8-15(12)23-13-9-20(10-13)16(21)14-11-24-18(2,3)17(22)19-14/h5-8,13-14H,4,9-11H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one?
(5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one has a molecular weight of 348.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(2-ethylphenoxy)azetidine-1-carbonyl]-2,2-dimethylthiomorpholin-3-one is sourced from PubChem (CID 97189362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).