carbamoylazanium sulfate

CH5N2O5S- — CID 164512156

IUPACcarbamoylazanium sulfate
SMILESNC([NH3+])=O.O=S(=O)([O-])[O-]
InChIInChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)/p-1
InChIKeySSBRSHIQIANGKS-UHFFFAOYSA-M
MW157.13 g/mol
LogP-3.03
Rot. Bonds

About carbamoylazanium sulfate

carbamoylazanium sulfate (PubChem CID 164512156) has the molecular formula CH5N2O5S- and a molecular weight of 157.13 g/mol. Its IUPAC name is carbamoylazanium sulfate.

Molecular Properties

Compound Namecarbamoylazanium sulfate
PubChem CID164512156
Molecular FormulaCH5N2O5S-
Molecular Weight157.13 g/mol
Exact Mass156.99
IUPAC Namecarbamoylazanium sulfate
SMILESNC([NH3+])=O.O=S(=O)([O-])[O-]
InChIInChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)/p-1
InChIKeySSBRSHIQIANGKS-UHFFFAOYSA-M
XLogP-3.03
TPSA150.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-3.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamoylazanium sulfate?
The IUPAC name of carbamoylazanium sulfate (CID 164512156) is carbamoylazanium sulfate.
What is the SMILES notation for carbamoylazanium sulfate?
The canonical SMILES for carbamoylazanium sulfate is NC([NH3+])=O.O=S(=O)([O-])[O-].
What is the InChIKey of carbamoylazanium sulfate?
The InChIKey is SSBRSHIQIANGKS-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)/p-1.
What are the key properties of carbamoylazanium sulfate?
carbamoylazanium sulfate has a molecular weight of 157.13 g/mol, XLogP of -3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylazanium sulfate is sourced from PubChem (CID 164512156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).