sodium;ethanesulfonic acid;morpholine;chloride

C6H15ClNNaO4S — CID 175170062

IUPACsodium;ethanesulfonic acid;morpholine;chloride
SMILESC1COCCN1.CCS(=O)(=O)O.[Cl-].[Na+]
InChIInChI=1S/C4H9NO.C2H6O3S.ClH.Na/c1-3-6-4-2-5-1;1-2-6(3,4)5;;/h5H,1-4H2;2H2,1H3,(H,3,4,5);1H;/q;;;+1/p-1
InChIKeyRHTYGDCYLKFAOU-UHFFFAOYSA-M
MW255.70 g/mol
LogP-6.49
Rot. Bonds1

About sodium;ethanesulfonic acid;morpholine;chloride

sodium;ethanesulfonic acid;morpholine;chloride (PubChem CID 175170062) has the molecular formula C6H15ClNNaO4S and a molecular weight of 255.70 g/mol. Its IUPAC name is sodium;ethanesulfonic acid;morpholine;chloride.

Molecular Properties

Compound Namesodium;ethanesulfonic acid;morpholine;chloride
PubChem CID175170062
Molecular FormulaC6H15ClNNaO4S
Molecular Weight255.70 g/mol
Exact Mass255.03
IUPAC Namesodium;ethanesulfonic acid;morpholine;chloride
SMILESC1COCCN1.CCS(=O)(=O)O.[Cl-].[Na+]
InChIInChI=1S/C4H9NO.C2H6O3S.ClH.Na/c1-3-6-4-2-5-1;1-2-6(3,4)5;;/h5H,1-4H2;2H2,1H3,(H,3,4,5);1H;/q;;;+1/p-1
InChIKeyRHTYGDCYLKFAOU-UHFFFAOYSA-M
XLogP-6.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 5-6.49
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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Frequently Asked Questions

What is the IUPAC name of sodium;ethanesulfonic acid;morpholine;chloride?
The IUPAC name of sodium;ethanesulfonic acid;morpholine;chloride (CID 175170062) is sodium;ethanesulfonic acid;morpholine;chloride.
What is the SMILES notation for sodium;ethanesulfonic acid;morpholine;chloride?
The canonical SMILES for sodium;ethanesulfonic acid;morpholine;chloride is C1COCCN1.CCS(=O)(=O)O.[Cl-].[Na+].
What is the InChIKey of sodium;ethanesulfonic acid;morpholine;chloride?
The InChIKey is RHTYGDCYLKFAOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO.C2H6O3S.ClH.Na/c1-3-6-4-2-5-1;1-2-6(3,4)5;;/h5H,1-4H2;2H2,1H3,(H,3,4,5);1H;/q;;;+1/p-1.
What are the key properties of sodium;ethanesulfonic acid;morpholine;chloride?
sodium;ethanesulfonic acid;morpholine;chloride has a molecular weight of 255.70 g/mol, XLogP of -6.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethanesulfonic acid;morpholine;chloride is sourced from PubChem (CID 175170062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).