sodium morpholin-4-ylmethanesulfonate

C5H10NNaO4S — CID 139093611

IUPACsodium morpholin-4-ylmethanesulfonate
SMILESO=S(=O)([O-])CN1CCOCC1.[Na+]
InChIInChI=1S/C5H11NO4S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;/h1-5H2,(H,7,8,9);/q;+1/p-1
InChIKeyMUGHRQRPTBNHNM-UHFFFAOYSA-M
MW203.19 g/mol
LogP-4.17
Rot. Bonds2

About sodium morpholin-4-ylmethanesulfonate

sodium morpholin-4-ylmethanesulfonate (PubChem CID 139093611) has the molecular formula C5H10NNaO4S and a molecular weight of 203.19 g/mol. Its IUPAC name is sodium morpholin-4-ylmethanesulfonate.

Molecular Properties

Compound Namesodium morpholin-4-ylmethanesulfonate
PubChem CID139093611
Molecular FormulaC5H10NNaO4S
Molecular Weight203.19 g/mol
Exact Mass203.02
IUPAC Namesodium morpholin-4-ylmethanesulfonate
SMILESO=S(=O)([O-])CN1CCOCC1.[Na+]
InChIInChI=1S/C5H11NO4S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;/h1-5H2,(H,7,8,9);/q;+1/p-1
InChIKeyMUGHRQRPTBNHNM-UHFFFAOYSA-M
XLogP-4.17
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-4.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 morpholin-4-ylmethanesulfonate?
The IUPAC name of sodium morpholin-4-ylmethanesulfonate (CID 139093611) is sodium morpholin-4-ylmethanesulfonate.
What is the SMILES notation for sodium morpholin-4-ylmethanesulfonate?
The canonical SMILES for sodium morpholin-4-ylmethanesulfonate is O=S(=O)([O-])CN1CCOCC1.[Na+].
What is the InChIKey of sodium morpholin-4-ylmethanesulfonate?
The InChIKey is MUGHRQRPTBNHNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO4S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;/h1-5H2,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium morpholin-4-ylmethanesulfonate?
sodium morpholin-4-ylmethanesulfonate has a molecular weight of 203.19 g/mol, XLogP of -4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium morpholin-4-ylmethanesulfonate is sourced from PubChem (CID 139093611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).