methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate

C13H19NO3S — CID 79822869

IUPACmethyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCc2ccsc2)CCO1
InChIInChI=1S/C13H19NO3S/c1-16-13(15)8-12-9-14(5-6-17-12)4-2-11-3-7-18-10-11/h3,7,10,12H,2,4-6,8-9H2,1H3
InChIKeyZTOXSAMJFYQXGP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.55
Rot. Bonds5

About methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate

methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate (PubChem CID 79822869) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
PubChem CID79822869
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCc2ccsc2)CCO1
InChIInChI=1S/C13H19NO3S/c1-16-13(15)8-12-9-14(5-6-17-12)4-2-11-3-7-18-10-11/h3,7,10,12H,2,4-6,8-9H2,1H3
InChIKeyZTOXSAMJFYQXGP-UHFFFAOYSA-N
XLogP1.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
methyl 2-[(2S)-4-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)methyl]morpholin-2-yl]acetate
CID 99799285
1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one
CID 79665999
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-[4-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]morpholin-2-yl]acetate
CID 122154345
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate (CID 79822869) is methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CCc2ccsc2)CCO1.
What is the InChIKey of methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate?
The InChIKey is ZTOXSAMJFYQXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-16-13(15)8-12-9-14(5-6-17-12)4-2-11-3-7-18-10-11/h3,7,10,12H,2,4-6,8-9H2,1H3.
What are the key properties of methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate?
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate has a molecular weight of 269.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79822869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).