2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid

C8H15NO6S — CID 81202826

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid
SMILESCC1COC(CO)CN1S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H15NO6S/c1-6-4-15-7(3-10)2-9(6)16(13,14)5-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyXTRHIGKSQKGYHV-UHFFFAOYSA-N
MW253.28 g/mol
LogP-1.52
Rot. Bonds4

About 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid (PubChem CID 81202826) has the molecular formula C8H15NO6S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid
PubChem CID81202826
Molecular FormulaC8H15NO6S
Molecular Weight253.28 g/mol
Exact Mass253.06
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid
SMILESCC1COC(CO)CN1S(=O)(=O)CC(=O)O
InChIInChI=1S/C8H15NO6S/c1-6-4-15-7(3-10)2-9(6)16(13,14)5-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)
InChIKeyXTRHIGKSQKGYHV-UHFFFAOYSA-N
XLogP-1.52
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-Methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 83058648
(4-Propan-2-ylsulfonylmorpholin-2-yl)methanol
CID 81219014
Ethyl 2-hydroxy-3-morpholin-4-ylsulfonylpropanoate
CID 10445686
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpropanoic acid
CID 28773475
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylacetic acid
CID 28773487
3-(2,6-Dimethylmorpholin-4-yl)sulfonylpropanoic acid
CID 43209517
2-(2,6-Dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43209519
3-(2-Methylmorpholin-4-yl)sulfonylpropanoic acid
CID 43209522
2-(2-Methylmorpholin-4-yl)sulfonylacetic acid
CID 43209524
3-(3-Methylmorpholin-4-yl)sulfonylpropanoic acid
CID 43542018
2-(2,5-Dimethylmorpholin-4-yl)sulfonylacetic acid
CID 43544554
4-(2,5-Dimethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43544558

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid (CID 81202826) is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid is CC1COC(CO)CN1S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid?
The InChIKey is XTRHIGKSQKGYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S/c1-6-4-15-7(3-10)2-9(6)16(13,14)5-8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid?
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid has a molecular weight of 253.28 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid is sourced from PubChem (CID 81202826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).