2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid

C12H21NO4S — CID 102743099

IUPAC2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid
SMILESCC1(C)CN(C(=O)CSCC(=O)O)CC(C)(C)O1
InChIInChI=1S/C12H21NO4S/c1-11(2)7-13(8-12(3,4)17-11)9(14)5-18-6-10(15)16/h5-8H2,1-4H3,(H,15,16)
InChIKeyJUUXVJZCMAJQMM-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.22
Rot. Bonds4

About 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid

2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid (PubChem CID 102743099) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid
PubChem CID102743099
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid
SMILESCC1(C)CN(C(=O)CSCC(=O)O)CC(C)(C)O1
InChIInChI=1S/C12H21NO4S/c1-11(2)7-13(8-12(3,4)17-11)9(14)5-18-6-10(15)16/h5-8H2,1-4H3,(H,15,16)
InChIKeyJUUXVJZCMAJQMM-UHFFFAOYSA-N
XLogP1.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-oxoethyl]sulfanylacetic acid
CID 107453679
2-(tert-butylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102737650
2-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 106668266
4-amino-4-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743762
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]oxyacetic acid
CID 102744885
2-[2-oxo-2-(3,4,5-trimethylpiperazin-1-yl)ethyl]sulfanylacetic acid
CID 114543531
3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoic acid
CID 102744515
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
2-[2-[4-(dimethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 112684021
2-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 43091410
3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 102744912
4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 102743692

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid (CID 102743099) is 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid is CC1(C)CN(C(=O)CSCC(=O)O)CC(C)(C)O1.
What is the InChIKey of 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid?
The InChIKey is JUUXVJZCMAJQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-11(2)7-13(8-12(3,4)17-11)9(14)5-18-6-10(15)16/h5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid?
2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid has a molecular weight of 275.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]sulfanylacetic acid is sourced from PubChem (CID 102743099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).