methanesulfonate;morpholin-4-ium

C5H13NO4S — CID 19593257

IUPACmethanesulfonate;morpholin-4-ium
SMILESC1COCC[NH2+]1.CS(=O)(=O)[O-]
InChIInChI=1S/C4H9NO.CH4O3S/c1-3-6-4-2-5-1;1-5(2,3)4/h5H,1-4H2;1H3,(H,2,3,4)
InChIKeyUFXSGSYKGLMMJU-UHFFFAOYSA-N
MW183.23 g/mol
LogP-2.26
Rot. Bonds

About methanesulfonate;morpholin-4-ium

methanesulfonate;morpholin-4-ium (PubChem CID 19593257) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is methanesulfonate;morpholin-4-ium.

Molecular Properties

Compound Namemethanesulfonate;morpholin-4-ium
PubChem CID19593257
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Namemethanesulfonate;morpholin-4-ium
SMILESC1COCC[NH2+]1.CS(=O)(=O)[O-]
InChIInChI=1S/C4H9NO.CH4O3S/c1-3-6-4-2-5-1;1-5(2,3)4/h5H,1-4H2;1H3,(H,2,3,4)
InChIKeyUFXSGSYKGLMMJU-UHFFFAOYSA-N
XLogP-2.26
TPSA83.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-2.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanesulfonate;morpholin-4-ium?
The IUPAC name of methanesulfonate;morpholin-4-ium (CID 19593257) is methanesulfonate;morpholin-4-ium.
What is the SMILES notation for methanesulfonate;morpholin-4-ium?
The canonical SMILES for methanesulfonate;morpholin-4-ium is C1COCC[NH2+]1.CS(=O)(=O)[O-].
What is the InChIKey of methanesulfonate;morpholin-4-ium?
The InChIKey is UFXSGSYKGLMMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CH4O3S/c1-3-6-4-2-5-1;1-5(2,3)4/h5H,1-4H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonate;morpholin-4-ium?
methanesulfonate;morpholin-4-ium has a molecular weight of 183.23 g/mol, XLogP of -2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonate;morpholin-4-ium is sourced from PubChem (CID 19593257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).