2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid

C11H20N2O3S — CID 66445503

IUPAC2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid
SMILESCCN(C)C(=O)CN1CCSCC1CC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-3-12(2)10(14)7-13-4-5-17-8-9(13)6-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyBRWDEDDALFCGLM-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.36
Rot. Bonds5

About 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid

2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66445503) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid
PubChem CID66445503
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid
SMILESCCN(C)C(=O)CN1CCSCC1CC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-3-12(2)10(14)7-13-4-5-17-8-9(13)6-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyBRWDEDDALFCGLM-UHFFFAOYSA-N
XLogP0.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[ethyl(methyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66444524
2-[4-[4-(dimethylamino)-4-oxobutyl]thiomorpholin-3-yl]acetic acid
CID 66444935
2-[4-[2-(2-acetylhydrazinyl)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66443982
2-[4-[2-(methoxycarbonylamino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66443403
2-[4-(cyclobutylmethyl)thiomorpholin-3-yl]acetic acid
CID 66443385
2-(4-ethoxycarbonylthiomorpholin-3-yl)acetic acid
CID 66444292
2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid
CID 66444150
2-(4-but-2-enylthiomorpholin-3-yl)acetic acid
CID 77134262
2-[4-(2,2-difluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66445733
2-[4-(2,2,2-trifluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66444400
2-[4-(5-hydroxypentyl)thiomorpholin-3-yl]acetic acid
CID 66445509
2-(4-but-3-ynylthiomorpholin-3-yl)acetic acid
CID 66445342

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid (CID 66445503) is 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid is CCN(C)C(=O)CN1CCSCC1CC(=O)O.
What is the InChIKey of 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is BRWDEDDALFCGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-3-12(2)10(14)7-13-4-5-17-8-9(13)6-11(15)16/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid?
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 260.36 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66445503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).