amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane

C2H5N4O6S2- — CID 146346957

IUPACamino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane
SMILESNC(=O)NS(=O)(=O)N(C(N)=O)S(=O)[O-]
InChIInChI=1S/C2H6N4O6S2/c3-1(7)5-14(11,12)6(2(4)8)13(9)10/h(H2,4,8)(H,9,10)(H3,3,5,7)/p-1
InChIKeyLJFWYAMKANASTA-UHFFFAOYSA-M
MW245.22 g/mol
LogP-2.93
Rot. Bonds3

About amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane

amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane (PubChem CID 146346957) has the molecular formula C2H5N4O6S2- and a molecular weight of 245.22 g/mol. Its IUPAC name is amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane.

Molecular Properties

Compound Nameamino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane
PubChem CID146346957
Molecular FormulaC2H5N4O6S2-
Molecular Weight245.22 g/mol
Exact Mass244.97
IUPAC Nameamino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane
SMILESNC(=O)NS(=O)(=O)N(C(N)=O)S(=O)[O-]
InChIInChI=1S/C2H6N4O6S2/c3-1(7)5-14(11,12)6(2(4)8)13(9)10/h(H2,4,8)(H,9,10)(H3,3,5,7)/p-1
InChIKeyLJFWYAMKANASTA-UHFFFAOYSA-M
XLogP-2.93
TPSA175.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 5-2.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(sulfonylamino)sulfonylurea
CID 150349786
amino-[carbamoyloxy(sulfinato)amino]-oxomethane
CID 91237826
azanium;sodium;hydrogen sulfite;urea
CID 161388694
carbamic acid;hydrogen sulfite;hydrochloride
CID 174945498
sulfamoylsulfonylurea
CID 54118048
lithium carbamate
CID 23703745
[carbamoyl(sulfinato)amino]-trifluoromethane
CID 123473839
CID 174966153
CID 174966153
(aminodiazenyl)sulfonylurea
CID 123809152
CID 149433419
CID 149433419
hydroxyurea;sulfuric acid
CID 170163620
copper;sodium;hydrogen sulfite;sulfate
CID 160627892

Frequently Asked Questions

What is the IUPAC name of amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane?
The IUPAC name of amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane (CID 146346957) is amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane.
What is the SMILES notation for amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane?
The canonical SMILES for amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane is NC(=O)NS(=O)(=O)N(C(N)=O)S(=O)[O-].
What is the InChIKey of amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane?
The InChIKey is LJFWYAMKANASTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6N4O6S2/c3-1(7)5-14(11,12)6(2(4)8)13(9)10/h(H2,4,8)(H,9,10)(H3,3,5,7)/p-1.
What are the key properties of amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane?
amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane has a molecular weight of 245.22 g/mol, XLogP of -2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[carbamoyl(sulfinato)sulfamoyl]amino]-oxomethane is sourced from PubChem (CID 146346957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).