amino-[carbamoyloxy(sulfinato)amino]-oxomethane

C2H4N3O5S- — CID 91237826

IUPACamino-[carbamoyloxy(sulfinato)amino]-oxomethane
SMILESNC(=O)ON(C(N)=O)S(=O)[O-]
InChIInChI=1S/C2H5N3O5S/c3-1(6)5(11(8)9)10-2(4)7/h(H2,3,6)(H2,4,7)(H,8,9)/p-1
InChIKeyJYKLQUSHFJMOCE-UHFFFAOYSA-M
MW182.14 g/mol
LogP-1.83
Rot. Bonds1

About amino-[carbamoyloxy(sulfinato)amino]-oxomethane

amino-[carbamoyloxy(sulfinato)amino]-oxomethane (PubChem CID 91237826) has the molecular formula C2H4N3O5S- and a molecular weight of 182.14 g/mol. Its IUPAC name is amino-[carbamoyloxy(sulfinato)amino]-oxomethane.

Molecular Properties

Compound Nameamino-[carbamoyloxy(sulfinato)amino]-oxomethane
PubChem CID91237826
Molecular FormulaC2H4N3O5S-
Molecular Weight182.14 g/mol
Exact Mass181.99
IUPAC Nameamino-[carbamoyloxy(sulfinato)amino]-oxomethane
SMILESNC(=O)ON(C(N)=O)S(=O)[O-]
InChIInChI=1S/C2H5N3O5S/c3-1(6)5(11(8)9)10-2(4)7/h(H2,3,6)(H2,4,7)(H,8,9)/p-1
InChIKeyJYKLQUSHFJMOCE-UHFFFAOYSA-M
XLogP-1.83
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[carbamoyl(sulfinato)amino]oxycarbonylbenzene
CID 174360087
[carbamoyl(sulfinato)amino]-trifluoromethane
CID 123473839
amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane
CID 146346957
2-[carbamoyl(sulfinato)carbamoyl]oxy-2-methylpropane
CID 91488525
CID 149433419
CID 149433419
carbamic acid;hydrogen sulfite;hydrochloride
CID 174945498
azanium;sodium;hydrogen sulfite;urea
CID 161388694
amino N-amino-N-carbamoyloxycarbamate
CID 174934503
ruthenium;urea
CID 161030938
cobalt(2+) sulfite
CID 18760923
(3-amino-3-oxoprop-1-en-2-yl) sulfite
CID 143925160
methoxy-[methyl(sulfinato)amino]-oxomethane
CID 57041813

Frequently Asked Questions

What is the IUPAC name of amino-[carbamoyloxy(sulfinato)amino]-oxomethane?
The IUPAC name of amino-[carbamoyloxy(sulfinato)amino]-oxomethane (CID 91237826) is amino-[carbamoyloxy(sulfinato)amino]-oxomethane.
What is the SMILES notation for amino-[carbamoyloxy(sulfinato)amino]-oxomethane?
The canonical SMILES for amino-[carbamoyloxy(sulfinato)amino]-oxomethane is NC(=O)ON(C(N)=O)S(=O)[O-].
What is the InChIKey of amino-[carbamoyloxy(sulfinato)amino]-oxomethane?
The InChIKey is JYKLQUSHFJMOCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5N3O5S/c3-1(6)5(11(8)9)10-2(4)7/h(H2,3,6)(H2,4,7)(H,8,9)/p-1.
What are the key properties of amino-[carbamoyloxy(sulfinato)amino]-oxomethane?
amino-[carbamoyloxy(sulfinato)amino]-oxomethane has a molecular weight of 182.14 g/mol, XLogP of -1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[carbamoyloxy(sulfinato)amino]-oxomethane is sourced from PubChem (CID 91237826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).