methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate

C14H20N2O2S — CID 97227916

IUPACmethyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate
SMILESCOC(=O)C[C@@H]1CSCCN1CCc1ccccn1
InChIInChI=1S/C14H20N2O2S/c1-18-14(17)10-13-11-19-9-8-16(13)7-5-12-4-2-3-6-15-12/h2-4,6,13H,5,7-11H2,1H3/t13-/m1/s1
InChIKeyZJOIQDAIINEUJM-CYBMUJFWSA-N
MW280.39 g/mol
LogP1.60
Rot. Bonds5

About methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate

methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate (PubChem CID 97227916) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate
PubChem CID97227916
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate
SMILESCOC(=O)C[C@@H]1CSCCN1CCc1ccccn1
InChIInChI=1S/C14H20N2O2S/c1-18-14(17)10-13-11-19-9-8-16(13)7-5-12-4-2-3-6-15-12/h2-4,6,13H,5,7-11H2,1H3/t13-/m1/s1
InChIKeyZJOIQDAIINEUJM-CYBMUJFWSA-N
XLogP1.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
4-(3-pyridin-2-ylpropanoyl)thiomorpholine-3-carboxylic acid
CID 82900694
methyl 2-[4-(3-methylbut-2-enyl)thiomorpholin-3-yl]acetate
CID 71848993
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
methyl 2-[(3S)-4-(3-chlorobenzoyl)thiomorpholin-3-yl]acetate
CID 96508157
methyl 2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]thiomorpholin-3-yl]acetate
CID 71968926
[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
CID 102788197
5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine
CID 175881809
methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate
CID 74225639
methyl (2R,6R)-6-methyl-4-(2-pyridin-2-ylethyl)morpholine-2-carboxylate
CID 97064912
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate?
The IUPAC name of methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate (CID 97227916) is methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate?
The canonical SMILES for methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate is COC(=O)C[C@@H]1CSCCN1CCc1ccccn1.
What is the InChIKey of methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate?
The InChIKey is ZJOIQDAIINEUJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-14(17)10-13-11-19-9-8-16(13)7-5-12-4-2-3-6-15-12/h2-4,6,13H,5,7-11H2,1H3/t13-/m1/s1.
What are the key properties of methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate?
methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate has a molecular weight of 280.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-4-(2-pyridin-2-ylethyl)thiomorpholin-3-yl]acetate is sourced from PubChem (CID 97227916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).