sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate

C8H17N2NaO5S — CID 23669603

IUPACsodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate
SMILESCN(CC(O)CN1CCOCC1)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C8H18N2O5S.Na/c1-9(16(12,13)14)6-8(11)7-10-2-4-15-5-3-10;/h8,11H,2-7H2,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyIVAMYUGJVMCQGI-UHFFFAOYSA-M
MW276.29 g/mol
LogP-4.92
Rot. Bonds5

About sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate

sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate (PubChem CID 23669603) has the molecular formula C8H17N2NaO5S and a molecular weight of 276.29 g/mol. Its IUPAC name is sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate.

Molecular Properties

Compound Namesodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate
PubChem CID23669603
Molecular FormulaC8H17N2NaO5S
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Namesodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate
SMILESCN(CC(O)CN1CCOCC1)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C8H18N2O5S.Na/c1-9(16(12,13)14)6-8(11)7-10-2-4-15-5-3-10;/h8,11H,2-7H2,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyIVAMYUGJVMCQGI-UHFFFAOYSA-M
XLogP-4.92
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-4.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate?
The IUPAC name of sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate (CID 23669603) is sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate.
What is the SMILES notation for sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate?
The canonical SMILES for sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate is CN(CC(O)CN1CCOCC1)S(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate?
The InChIKey is IVAMYUGJVMCQGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O5S.Na/c1-9(16(12,13)14)6-8(11)7-10-2-4-15-5-3-10;/h8,11H,2-7H2,1H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate?
sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate has a molecular weight of 276.29 g/mol, XLogP of -4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylsulfamate is sourced from PubChem (CID 23669603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).