[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate

C10H15N4O7S2- — CID 174334464

IUPAC[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate
SMILESCOc1cc(NC(=O)NS(=O)(=O)N(C)CS(=O)[O-])nc(OC)c1
InChIInChI=1S/C10H16N4O7S2/c1-14(6-22(16)17)23(18,19)13-10(15)12-8-4-7(20-2)5-9(11-8)21-3/h4-5H,6H2,1-3H3,(H,16,17)(H2,11,12,13,15)/p-1
InChIKeyUATIRXDEEAQRTK-UHFFFAOYSA-M
MW367.39 g/mol
LogP-0.77
Rot. Bonds7

About [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate

[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate (PubChem CID 174334464) has the molecular formula C10H15N4O7S2- and a molecular weight of 367.39 g/mol. Its IUPAC name is [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate.

Molecular Properties

Compound Name[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate
PubChem CID174334464
Molecular FormulaC10H15N4O7S2-
Molecular Weight367.39 g/mol
Exact Mass367.04
IUPAC Name[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate
SMILESCOc1cc(NC(=O)NS(=O)(=O)N(C)CS(=O)[O-])nc(OC)c1
InChIInChI=1S/C10H16N4O7S2/c1-14(6-22(16)17)23(18,19)13-10(15)12-8-4-7(20-2)5-9(11-8)21-3/h4-5H,6H2,1-3H3,(H,16,17)(H2,11,12,13,15)/p-1
InChIKeyUATIRXDEEAQRTK-UHFFFAOYSA-M
XLogP-0.77
TPSA149.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(4,6-dimethoxy-2-pyridinyl)-3-[5-(methanesulfonamido)-2-methylphenyl]sulfonylurea
CID 150710736
ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
CID 14577225
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
1-(4,6-dimethoxy-2-pyridinyl)-3-sulfonylurea;3-(trifluoromethyl)pyridine
CID 174274739
1-(4,6-dimethoxy-2-pyridinyl)-3-methyl-1-(methylsulfamoyl)urea
CID 142669824
3-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl-methylamino]propanoic acid
CID 107624901
1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-[methyl(methylsulfonyl)amino]prop-2-enylsulfonyl]urea
CID 174284655
2,4-dimethoxy-6-methylsulfonylpyridine
CID 19077294
N-(4,6-dimethoxypyrimidin-2-yl)carbamate
CID 22648732
2-chloro-6-nitro-3-phenoxyaniline;1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 70140389
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
CID 21273967

Frequently Asked Questions

What is the IUPAC name of [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate?
The IUPAC name of [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate (CID 174334464) is [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate.
What is the SMILES notation for [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate?
The canonical SMILES for [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate is COc1cc(NC(=O)NS(=O)(=O)N(C)CS(=O)[O-])nc(OC)c1.
What is the InChIKey of [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate?
The InChIKey is UATIRXDEEAQRTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N4O7S2/c1-14(6-22(16)17)23(18,19)13-10(15)12-8-4-7(20-2)5-9(11-8)21-3/h4-5H,6H2,1-3H3,(H,16,17)(H2,11,12,13,15)/p-1.
What are the key properties of [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate?
[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate has a molecular weight of 367.39 g/mol, XLogP of -0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl-methylamino]methanesulfinate is sourced from PubChem (CID 174334464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).