sodium;hydride;morpholin-2-yl ethanesulfonate

C6H14NNaO4S — CID 175166289

IUPACsodium;hydride;morpholin-2-yl ethanesulfonate
SMILESCCS(=O)(=O)OC1CNCCO1.[H-].[Na+]
InChIInChI=1S/C6H13NO4S.Na.H/c1-2-12(8,9)11-6-5-7-3-4-10-6;;/h6-7H,2-5H2,1H3;;/q;+1;-1
InChIKeyNXSXXNLKICAKJD-UHFFFAOYSA-N
MW219.24 g/mol
LogP-3.58
Rot. Bonds3

About sodium;hydride;morpholin-2-yl ethanesulfonate

sodium;hydride;morpholin-2-yl ethanesulfonate (PubChem CID 175166289) has the molecular formula C6H14NNaO4S and a molecular weight of 219.24 g/mol. Its IUPAC name is sodium;hydride;morpholin-2-yl ethanesulfonate.

Molecular Properties

Compound Namesodium;hydride;morpholin-2-yl ethanesulfonate
PubChem CID175166289
Molecular FormulaC6H14NNaO4S
Molecular Weight219.24 g/mol
Exact Mass219.05
IUPAC Namesodium;hydride;morpholin-2-yl ethanesulfonate
SMILESCCS(=O)(=O)OC1CNCCO1.[H-].[Na+]
InChIInChI=1S/C6H13NO4S.Na.H/c1-2-12(8,9)11-6-5-7-3-4-10-6;;/h6-7H,2-5H2,1H3;;/q;+1;-1
InChIKeyNXSXXNLKICAKJD-UHFFFAOYSA-N
XLogP-3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-3.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;morpholin-2-yl ethanesulfonate?
The IUPAC name of sodium;hydride;morpholin-2-yl ethanesulfonate (CID 175166289) is sodium;hydride;morpholin-2-yl ethanesulfonate.
What is the SMILES notation for sodium;hydride;morpholin-2-yl ethanesulfonate?
The canonical SMILES for sodium;hydride;morpholin-2-yl ethanesulfonate is CCS(=O)(=O)OC1CNCCO1.[H-].[Na+].
What is the InChIKey of sodium;hydride;morpholin-2-yl ethanesulfonate?
The InChIKey is NXSXXNLKICAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S.Na.H/c1-2-12(8,9)11-6-5-7-3-4-10-6;;/h6-7H,2-5H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;morpholin-2-yl ethanesulfonate?
sodium;hydride;morpholin-2-yl ethanesulfonate has a molecular weight of 219.24 g/mol, XLogP of -3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;morpholin-2-yl ethanesulfonate is sourced from PubChem (CID 175166289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).