2-(methylamino)ethanesulfonic acid;4-methylmorpholine

C8H20N2O4S — CID 157164072

IUPAC2-(methylamino)ethanesulfonic acid;4-methylmorpholine
SMILESCN1CCOCC1.CNCCS(=O)(=O)O
InChIInChI=1S/C5H11NO.C3H9NO3S/c1-6-2-4-7-5-3-6;1-4-2-3-8(5,6)7/h2-5H2,1H3;4H,2-3H2,1H3,(H,5,6,7)
InChIKeyAMRZORKDPUUMED-UHFFFAOYSA-N
MW240.32 g/mol
LogP-0.96
Rot. Bonds3

About 2-(methylamino)ethanesulfonic acid;4-methylmorpholine

2-(methylamino)ethanesulfonic acid;4-methylmorpholine (PubChem CID 157164072) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(methylamino)ethanesulfonic acid;4-methylmorpholine.

Molecular Properties

Compound Name2-(methylamino)ethanesulfonic acid;4-methylmorpholine
PubChem CID157164072
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC Name2-(methylamino)ethanesulfonic acid;4-methylmorpholine
SMILESCN1CCOCC1.CNCCS(=O)(=O)O
InChIInChI=1S/C5H11NO.C3H9NO3S/c1-6-2-4-7-5-3-6;1-4-2-3-8(5,6)7/h2-5H2,1H3;4H,2-3H2,1H3,(H,5,6,7)
InChIKeyAMRZORKDPUUMED-UHFFFAOYSA-N
XLogP-0.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methylmorpholine;sulfuric acid
CID 146295231
N-methyl-2-morpholin-4-ylsulfonylethanamine
CID 59686763
methane;2-(methylamino)ethanesulfonic acid
CID 160562467
CID 87316940
CID 87316940
disodium;hydride;2-(methylamino)ethanesulfonic acid
CID 173271424
azane;methanethiol;4-methylmorpholine;N-methylpentan-1-amine
CID 144959575
lithium;4-methylmorpholine;chloride
CID 172748649
propane-1-sulfonic acid;4-propylmorpholine
CID 118072968
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
sodium;hydride;3-morpholin-4-ylpropane-1-sulfonic acid
CID 172999805
ethane;4-methylmorpholine
CID 54432133
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanesulfonic acid;4-methylmorpholine?
The IUPAC name of 2-(methylamino)ethanesulfonic acid;4-methylmorpholine (CID 157164072) is 2-(methylamino)ethanesulfonic acid;4-methylmorpholine.
What is the SMILES notation for 2-(methylamino)ethanesulfonic acid;4-methylmorpholine?
The canonical SMILES for 2-(methylamino)ethanesulfonic acid;4-methylmorpholine is CN1CCOCC1.CNCCS(=O)(=O)O.
What is the InChIKey of 2-(methylamino)ethanesulfonic acid;4-methylmorpholine?
The InChIKey is AMRZORKDPUUMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H9NO3S/c1-6-2-4-7-5-3-6;1-4-2-3-8(5,6)7/h2-5H2,1H3;4H,2-3H2,1H3,(H,5,6,7).
What are the key properties of 2-(methylamino)ethanesulfonic acid;4-methylmorpholine?
2-(methylamino)ethanesulfonic acid;4-methylmorpholine has a molecular weight of 240.32 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanesulfonic acid;4-methylmorpholine is sourced from PubChem (CID 157164072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).