sulfamic acid;urea

CH7N3O4S — CID 22336292

IUPACsulfamic acid;urea
SMILESNC(N)=O.NS(=O)(=O)O
InChIInChI=1S/CH4N2O.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)
InChIKeyNLXLGAYSEMFOLC-UHFFFAOYSA-N
MW157.15 g/mol
LogP-2.23
Rot. Bonds

About sulfamic acid;urea

sulfamic acid;urea (PubChem CID 22336292) has the molecular formula CH7N3O4S and a molecular weight of 157.15 g/mol. Its IUPAC name is sulfamic acid;urea.

Molecular Properties

Compound Namesulfamic acid;urea
PubChem CID22336292
Molecular FormulaCH7N3O4S
Molecular Weight157.15 g/mol
Exact Mass157.02
IUPAC Namesulfamic acid;urea
SMILESNC(N)=O.NS(=O)(=O)O
InChIInChI=1S/CH4N2O.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4)
InChIKeyNLXLGAYSEMFOLC-UHFFFAOYSA-N
XLogP-2.23
TPSA149.50 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 sulfamic acid;urea?
The IUPAC name of sulfamic acid;urea (CID 22336292) is sulfamic acid;urea.
What is the SMILES notation for sulfamic acid;urea?
The canonical SMILES for sulfamic acid;urea is NC(N)=O.NS(=O)(=O)O.
What is the InChIKey of sulfamic acid;urea?
The InChIKey is NLXLGAYSEMFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H3,1,2,3,4).
What are the key properties of sulfamic acid;urea?
sulfamic acid;urea has a molecular weight of 157.15 g/mol, XLogP of -2.23, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamic acid;urea is sourced from PubChem (CID 22336292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).