2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid

C8H13NO4S — CID 752696

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO4S/c10-7(5-14-6-8(11)12)9-1-3-13-4-2-9/h1-6H2,(H,11,12)
InChIKeyULQYCYTYVTVVBO-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.34
Rot. Bonds4

About 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid

2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid (PubChem CID 752696) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid
PubChem CID752696
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid
SMILESO=C(O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C8H13NO4S/c10-7(5-14-6-8(11)12)9-1-3-13-4-2-9/h1-6H2,(H,11,12)
InChIKeyULQYCYTYVTVVBO-UHFFFAOYSA-N
XLogP-0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

InChI=1/C8H13NO3S/c1-2-12-8(11)5-9-3-4-13-6-7(9)10/h2-6H2,1H
CID 14941169
Ethyl {[2-(4-morpholinyl)-2-oxoethanethioyl]thio}acetate
CID 5214010
2-Ethylsulfanyl-1-morpholin-4-ylethanone
CID 13539030
2-(3-Oxothiomorpholin-4-yl)ethyl acetate
CID 154261769
2-[2-Acetyloxyethyl-[2-[2-(dimethylamino)ethylsulfanyl]acetyl]amino]ethyl acetate
CID 162529585
[2-(1,1-Dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane
CID 169188364
Methyl 3-(2-morpholin-4-yl-2-oxoethyl)sulfanylpropanoate
CID 4127023
2-(2-Morpholin-4-yl-2-oxoethyl)sulfanylacetate
CID 5051314
2-(Morpholine-4-carbonylsulfanyl)acetic acid
CID 12362199
3-(2-Morpholin-4-yl-2-oxoethyl)sulfanylpropanoic acid
CID 28378925
2-(2-Morpholin-4-yl-2-oxoethyl)sulfonylacetic acid
CID 28379406
3-(2-Morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 28379458

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid (CID 752696) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid is O=C(O)CSCC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid?
The InChIKey is ULQYCYTYVTVVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c10-7(5-14-6-8(11)12)9-1-3-13-4-2-9/h1-6H2,(H,11,12).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid has a molecular weight of 219.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetic acid is sourced from PubChem (CID 752696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).