4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione

C9H14N2O3S — CID 104571039

IUPAC4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1CC1CNCCO1
InChIInChI=1S/C9H14N2O3S/c12-8-5-15-6-9(13)11(8)4-7-3-10-1-2-14-7/h7,10H,1-6H2
InChIKeyZKZRUZKGTPUECD-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.92
Rot. Bonds2

About 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione

4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione (PubChem CID 104571039) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione
PubChem CID104571039
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1CC1CNCCO1
InChIInChI=1S/C9H14N2O3S/c12-8-5-15-6-9(13)11(8)4-7-3-10-1-2-14-7/h7,10H,1-6H2
InChIKeyZKZRUZKGTPUECD-UHFFFAOYSA-N
XLogP-0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
CID 6932395
2-(morpholin-2-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 113287224
3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64532844
1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104512049
2-(azetidin-1-ylmethyl)morpholine
CID 68846635
1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
CID 64533654
1-methyl-3-(morpholin-2-ylmethyl)imidazol-2-one
CID 80580840
2-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 115324338
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 53407663
(2R)-2-(piperidin-1-ylmethyl)morpholine
CID 7107506
(2S)-2-(tetrazol-2-ylmethyl)morpholine
CID 141231933

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione (CID 104571039) is 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione is O=C1CSCC(=O)N1CC1CNCCO1.
What is the InChIKey of 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione?
The InChIKey is ZKZRUZKGTPUECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c12-8-5-15-6-9(13)11(8)4-7-3-10-1-2-14-7/h7,10H,1-6H2.
What are the key properties of 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione?
4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione has a molecular weight of 230.29 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 104571039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).