morpholin-4-ium sulfamate

C4H12N2O4S — CID 71438157

IUPACmorpholin-4-ium sulfamate
SMILESC1COCC[NH2+]1.NS(=O)(=O)[O-]
InChIInChI=1S/C4H9NO.H3NO3S/c1-3-6-4-2-5-1;1-5(2,3)4/h5H,1-4H2;(H3,1,2,3,4)
InChIKeyPHUIJNUKWTUKLJ-UHFFFAOYSA-N
MW184.22 g/mol
LogP-3.01
Rot. Bonds

About morpholin-4-ium sulfamate

morpholin-4-ium sulfamate (PubChem CID 71438157) has the molecular formula C4H12N2O4S and a molecular weight of 184.22 g/mol. Its IUPAC name is morpholin-4-ium sulfamate.

Molecular Properties

Compound Namemorpholin-4-ium sulfamate
PubChem CID71438157
Molecular FormulaC4H12N2O4S
Molecular Weight184.22 g/mol
Exact Mass184.05
IUPAC Namemorpholin-4-ium sulfamate
SMILESC1COCC[NH2+]1.NS(=O)(=O)[O-]
InChIInChI=1S/C4H9NO.H3NO3S/c1-3-6-4-2-5-1;1-5(2,3)4/h5H,1-4H2;(H3,1,2,3,4)
InChIKeyPHUIJNUKWTUKLJ-UHFFFAOYSA-N
XLogP-3.01
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-3.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 morpholin-4-ium sulfamate?
The IUPAC name of morpholin-4-ium sulfamate (CID 71438157) is morpholin-4-ium sulfamate.
What is the SMILES notation for morpholin-4-ium sulfamate?
The canonical SMILES for morpholin-4-ium sulfamate is C1COCC[NH2+]1.NS(=O)(=O)[O-].
What is the InChIKey of morpholin-4-ium sulfamate?
The InChIKey is PHUIJNUKWTUKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.H3NO3S/c1-3-6-4-2-5-1;1-5(2,3)4/h5H,1-4H2;(H3,1,2,3,4).
What are the key properties of morpholin-4-ium sulfamate?
morpholin-4-ium sulfamate has a molecular weight of 184.22 g/mol, XLogP of -3.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium sulfamate is sourced from PubChem (CID 71438157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).