methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate

C10H19NO2S — CID 115648490

IUPACmethyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate
SMILESCOC(=O)C(C)N1CCSC(C)C1C
InChIInChI=1S/C10H19NO2S/c1-7-9(3)14-6-5-11(7)8(2)10(12)13-4/h7-9H,5-6H2,1-4H3
InChIKeyGXOFSDBNGHFYKW-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.37
Rot. Bonds2

About methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate

methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate (PubChem CID 115648490) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate
PubChem CID115648490
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate
SMILESCOC(=O)C(C)N1CCSC(C)C1C
InChIInChI=1S/C10H19NO2S/c1-7-9(3)14-6-5-11(7)8(2)10(12)13-4/h7-9H,5-6H2,1-4H3
InChIKeyGXOFSDBNGHFYKW-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one
CID 115734514
methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
CID 102329917
1-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 115740155
methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate
CID 135240223
(2S)-2-amino-N-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]-3-methylbutanamide
CID 103885015
1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone
CID 115634381
3-(2,3-dimethylthiomorpholin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114899062
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
methyl 3-methyl-2-(3-methyl-1,4-dithiane-2-carbonyl)butanoate
CID 115388384
methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate
CID 130595097
4-[(2R,3S)-2,3-dimethylthiomorpholin-4-yl]butanoic acid
CID 124567316
N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide
CID 115634669

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate?
The IUPAC name of methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate (CID 115648490) is methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate.
What is the SMILES notation for methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate?
The canonical SMILES for methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate is COC(=O)C(C)N1CCSC(C)C1C.
What is the InChIKey of methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate?
The InChIKey is GXOFSDBNGHFYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7-9(3)14-6-5-11(7)8(2)10(12)13-4/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate?
methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate has a molecular weight of 217.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethylthiomorpholin-4-yl)propanoate is sourced from PubChem (CID 115648490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).