sodium N-morpholin-4-ylsulfamate

C4H9N2NaO4S — CID 23682296

IUPACsodium N-morpholin-4-ylsulfamate
SMILESO=S(=O)([O-])NN1CCOCC1.[Na+]
InChIInChI=1S/C4H10N2O4S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;/h5H,1-4H2,(H,7,8,9);/q;+1/p-1
InChIKeyLAUBIBOPSQLSQA-UHFFFAOYSA-M
MW204.18 g/mol
LogP-4.71
Rot. Bonds2

About sodium N-morpholin-4-ylsulfamate

sodium N-morpholin-4-ylsulfamate (PubChem CID 23682296) has the molecular formula C4H9N2NaO4S and a molecular weight of 204.18 g/mol. Its IUPAC name is sodium N-morpholin-4-ylsulfamate.

Molecular Properties

Compound Namesodium N-morpholin-4-ylsulfamate
PubChem CID23682296
Molecular FormulaC4H9N2NaO4S
Molecular Weight204.18 g/mol
Exact Mass204.02
IUPAC Namesodium N-morpholin-4-ylsulfamate
SMILESO=S(=O)([O-])NN1CCOCC1.[Na+]
InChIInChI=1S/C4H10N2O4S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;/h5H,1-4H2,(H,7,8,9);/q;+1/p-1
InChIKeyLAUBIBOPSQLSQA-UHFFFAOYSA-M
XLogP-4.71
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-4.71
H-Bond Donors ≤ 51
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 N-morpholin-4-ylsulfamate?
The IUPAC name of sodium N-morpholin-4-ylsulfamate (CID 23682296) is sodium N-morpholin-4-ylsulfamate.
What is the SMILES notation for sodium N-morpholin-4-ylsulfamate?
The canonical SMILES for sodium N-morpholin-4-ylsulfamate is O=S(=O)([O-])NN1CCOCC1.[Na+].
What is the InChIKey of sodium N-morpholin-4-ylsulfamate?
The InChIKey is LAUBIBOPSQLSQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O4S.Na/c7-11(8,9)5-6-1-3-10-4-2-6;/h5H,1-4H2,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium N-morpholin-4-ylsulfamate?
sodium N-morpholin-4-ylsulfamate has a molecular weight of 204.18 g/mol, XLogP of -4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-morpholin-4-ylsulfamate is sourced from PubChem (CID 23682296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).