(2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one

C10H16N2O3S — CID 100816223

IUPAC(2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one
SMILESC[C@H]1SC[C@@H](C(=O)N2CCOCC2)NC1=O
InChIInChI=1S/C10H16N2O3S/c1-7-9(13)11-8(6-16-7)10(14)12-2-4-15-5-3-12/h7-8H,2-6H2,1H3,(H,11,13)/t7-,8+/m1/s1
InChIKeyGVLDDLGGWFTTEX-SFYZADRCSA-N
MW244.32 g/mol
LogP-0.53
Rot. Bonds1

About (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one

(2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one (PubChem CID 100816223) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one.

Molecular Properties

Compound Name(2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one
PubChem CID100816223
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name(2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one
SMILESC[C@H]1SC[C@@H](C(=O)N2CCOCC2)NC1=O
InChIInChI=1S/C10H16N2O3S/c1-7-9(13)11-8(6-16-7)10(14)12-2-4-15-5-3-12/h7-8H,2-6H2,1H3,(H,11,13)/t7-,8+/m1/s1
InChIKeyGVLDDLGGWFTTEX-SFYZADRCSA-N
XLogP-0.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6R)-6-methyl-5-oxothiomorpholine-3-carboxylic acid
CID 99645794
morpholin-4-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 7175775
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
pyrrolidin-2-yl(1,4,7-trioxa-10-azacyclododec-10-yl)methanone
CID 3095254
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
5-(1,3-oxazolidine-3-carbonyl)pyrrolidin-2-one
CID 110746563
5-[4-(morpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]pyrrolidin-2-one
CID 10064176
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
morpholin-4-yl(oxetan-2-yl)methanone
CID 130874953
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
[(2S)-1,3-dimethylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 142300145

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one?
The IUPAC name of (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one (CID 100816223) is (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one.
What is the SMILES notation for (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one?
The canonical SMILES for (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one is C[C@H]1SC[C@@H](C(=O)N2CCOCC2)NC1=O.
What is the InChIKey of (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one?
The InChIKey is GVLDDLGGWFTTEX-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-7-9(13)11-8(6-16-7)10(14)12-2-4-15-5-3-12/h7-8H,2-6H2,1H3,(H,11,13)/t7-,8+/m1/s1.
What are the key properties of (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one?
(2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one has a molecular weight of 244.32 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-methyl-5-(morpholine-4-carbonyl)thiomorpholin-3-one is sourced from PubChem (CID 100816223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).