2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid

C9H17NO5S — CID 43578522

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid
SMILESCCC1COC(C)CN1S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H17NO5S/c1-3-8-5-15-7(2)4-10(8)16(13,14)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyIJHDBVWUGGAZEV-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.10
Rot. Bonds4

About 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid

2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid (PubChem CID 43578522) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid
PubChem CID43578522
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid
SMILESCCC1COC(C)CN1S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H17NO5S/c1-3-8-5-15-7(2)4-10(8)16(13,14)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyIJHDBVWUGGAZEV-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid (CID 43578522) is 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid is CCC1COC(C)CN1S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid?
The InChIKey is IJHDBVWUGGAZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-3-8-5-15-7(2)4-10(8)16(13,14)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid?
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid has a molecular weight of 251.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid is sourced from PubChem (CID 43578522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).