2-morpholin-2-ylethanesulfonic acid

C6H13NO4S — CID 14299331

IUPAC2-morpholin-2-ylethanesulfonic acid
SMILESO=S(=O)(O)CCC1CNCCO1
InChIInChI=1S/C6H13NO4S/c8-12(9,10)4-1-6-5-7-2-3-11-6/h6-7H,1-5H2,(H,8,9,10)
InChIKeyHNXGGWNCFXZSAI-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.75
Rot. Bonds3

About 2-morpholin-2-ylethanesulfonic acid

2-morpholin-2-ylethanesulfonic acid (PubChem CID 14299331) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-morpholin-2-ylethanesulfonic acid.

Molecular Properties

Compound Name2-morpholin-2-ylethanesulfonic acid
PubChem CID14299331
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-morpholin-2-ylethanesulfonic acid
SMILESO=S(=O)(O)CCC1CNCCO1
InChIInChI=1S/C6H13NO4S/c8-12(9,10)4-1-6-5-7-2-3-11-6/h6-7H,1-5H2,(H,8,9,10)
InChIKeyHNXGGWNCFXZSAI-UHFFFAOYSA-N
XLogP-0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-Morpholin-4-ium-4-ylpropane-1-sulfonate
CID 2723950
Morpholine ethanesulfonic acid
CID 21977417
2-(Morpholinium-4-yl)ethanesulfonate monohydrate
CID 139072146
N-methyl-1-(morpholin-2-yl)methanesulfonamide hydrochloride
CID 134691047
((2S)-morpholin-2-yl)methanesulfonyl fluoride hydrochloride
CID 162342410
2-Morpholin-4-ium-4-ylethanesulfonic acid
CID 56973537
Molecular hydrogen;2-morpholin-4-ium-4-ylethanesulfonic acid
CID 86580378
(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropane-1-sulfonate
CID 1800415
3-(2-Ethoxyethylamino)propane-1-sulfonic acid
CID 42627258
3-Morpholinepropanesulphonic acid
CID 14923207
Morpholine propane sulfonic acid
CID 21896462
2-Morpholineethanesulfonic acid monohydrate
CID 129858433

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-ylethanesulfonic acid?
The IUPAC name of 2-morpholin-2-ylethanesulfonic acid (CID 14299331) is 2-morpholin-2-ylethanesulfonic acid.
What is the SMILES notation for 2-morpholin-2-ylethanesulfonic acid?
The canonical SMILES for 2-morpholin-2-ylethanesulfonic acid is O=S(=O)(O)CCC1CNCCO1.
What is the InChIKey of 2-morpholin-2-ylethanesulfonic acid?
The InChIKey is HNXGGWNCFXZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c8-12(9,10)4-1-6-5-7-2-3-11-6/h6-7H,1-5H2,(H,8,9,10).
What are the key properties of 2-morpholin-2-ylethanesulfonic acid?
2-morpholin-2-ylethanesulfonic acid has a molecular weight of 195.24 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-ylethanesulfonic acid is sourced from PubChem (CID 14299331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).