(5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

C13H19N3O4S — CID 37134490

IUPAC(5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)CCO1
InChIInChI=1S/C13H19N3O4S/c1-9-6-15(3-4-20-9)10(17)7-16-11(18)13(14-12(16)19)2-5-21-8-13/h9H,2-8H2,1H3,(H,14,19)/t9-,13+/m1/s1
InChIKeyWDJLEJBPNFDDDA-RNCFNFMXSA-N
MW313.38 g/mol
LogP-0.34
Rot. Bonds2

About (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 37134490) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID37134490
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name(5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)CCO1
InChIInChI=1S/C13H19N3O4S/c1-9-6-15(3-4-20-9)10(17)7-16-11(18)13(14-12(16)19)2-5-21-8-13/h9H,2-8H2,1H3,(H,14,19)/t9-,13+/m1/s1
InChIKeyWDJLEJBPNFDDDA-RNCFNFMXSA-N
XLogP-0.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 95312944
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 46675649
5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 24577980
(5S)-5-(2-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95151894
5-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46674957
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120
3-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119576929
2-(1-aminocyclohexyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 64685311
(5S)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 33083226
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51909360
5,5-dimethyl-3-[2-oxo-2-(2-pyridin-4-ylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 110102604
3-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43034189

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 37134490) is (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is C[C@@H]1CN(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)CCO1.
What is the InChIKey of (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is WDJLEJBPNFDDDA-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-6-15(3-4-20-9)10(17)7-16-11(18)13(14-12(16)19)2-5-21-8-13/h9H,2-8H2,1H3,(H,14,19)/t9-,13+/m1/s1.
What are the key properties of (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 313.38 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-[(2R)-2-methylmorpholin-4-yl]-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 37134490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).