disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate

C6H12N2Na2O7S2 — CID 15889427

IUPACdisodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate
SMILESO=S(=O)([O-])N(CCN1CCOCC1)S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H14N2O7S2.2Na/c9-16(10,11)8(17(12,13)14)2-1-7-3-5-15-6-4-7;;/h1-6H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChIKeyYJUIXFIKSVMEER-UHFFFAOYSA-L
MW334.28 g/mol
LogP-8.45
Rot. Bonds5

About disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate

disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate (PubChem CID 15889427) has the molecular formula C6H12N2Na2O7S2 and a molecular weight of 334.28 g/mol. Its IUPAC name is disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate.

Molecular Properties

Compound Namedisodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate
PubChem CID15889427
Molecular FormulaC6H12N2Na2O7S2
Molecular Weight334.28 g/mol
Exact Mass333.99
IUPAC Namedisodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate
SMILESO=S(=O)([O-])N(CCN1CCOCC1)S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H14N2O7S2.2Na/c9-16(10,11)8(17(12,13)14)2-1-7-3-5-15-6-4-7;;/h1-6H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChIKeyYJUIXFIKSVMEER-UHFFFAOYSA-L
XLogP-8.45
TPSA130.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 5-8.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate?
The IUPAC name of disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate (CID 15889427) is disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate.
What is the SMILES notation for disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate?
The canonical SMILES for disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate is O=S(=O)([O-])N(CCN1CCOCC1)S(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate?
The InChIKey is YJUIXFIKSVMEER-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14N2O7S2.2Na/c9-16(10,11)8(17(12,13)14)2-1-7-3-5-15-6-4-7;;/h1-6H2,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate?
disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate has a molecular weight of 334.28 g/mol, XLogP of -8.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-(2-morpholin-4-ylethyl)-N-sulfonatosulfamate is sourced from PubChem (CID 15889427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).