2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine

C4H4N5O5S2- — CID 175594396

IUPAC2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine
SMILESNC(=O)N(S(=O)[O-])S(=O)(=O)c1ncncn1
InChIInChI=1S/C4H5N5O5S2/c5-3(10)9(15(11)12)16(13,14)4-7-1-6-2-8-4/h1-2H,(H2,5,10)(H,11,12)/p-1
InChIKeyUHYOHABMFLUDFH-UHFFFAOYSA-M
MW266.24 g/mol
LogP-2.26
Rot. Bonds3

About 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine

2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine (PubChem CID 175594396) has the molecular formula C4H4N5O5S2- and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine
PubChem CID175594396
Molecular FormulaC4H4N5O5S2-
Molecular Weight266.24 g/mol
Exact Mass265.97
IUPAC Name2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine
SMILESNC(=O)N(S(=O)[O-])S(=O)(=O)c1ncncn1
InChIInChI=1S/C4H5N5O5S2/c5-3(10)9(15(11)12)16(13,14)4-7-1-6-2-8-4/h1-2H,(H2,5,10)(H,11,12)/p-1
InChIKeyUHYOHABMFLUDFH-UHFFFAOYSA-M
XLogP-2.26
TPSA159.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 5-2.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazin-2-ylsulfonylurea
CID 54012525
Sulfonylurea;1,3,5-triazine
CID 19074086
1,3,5-Triazine-2-sulfonamide
CID 20026162
N-(4-sulfamoyl-1,3,5-triazin-2-yl)formamide
CID 54114751
4-(Diaminomethylideneamino)-1,3,5-triazine-2-sulfinate
CID 56630131
N-(1,3,5-triazin-2-ylsulfonyl)formamide
CID 173146461
1-Carbamoyl-3-(1,3,5-triazin-2-ylsulfonyl)urea
CID 174373734
Aminomethyl 1,3,5-triazine-2-sulfonate
CID 174772001
2-[Carbamoyl(sulfino)sulfamoyl]-1,3,5-triazine
CID 175594397

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine?
The IUPAC name of 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine (CID 175594396) is 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine.
What is the SMILES notation for 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine?
The canonical SMILES for 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine is NC(=O)N(S(=O)[O-])S(=O)(=O)c1ncncn1.
What is the InChIKey of 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine?
The InChIKey is UHYOHABMFLUDFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5N5O5S2/c5-3(10)9(15(11)12)16(13,14)4-7-1-6-2-8-4/h1-2H,(H2,5,10)(H,11,12)/p-1.
What are the key properties of 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine?
2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine has a molecular weight of 266.24 g/mol, XLogP of -2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(sulfinato)sulfamoyl]-1,3,5-triazine is sourced from PubChem (CID 175594396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).