3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide

C11H17N3O3S2 — CID 106597836

IUPAC3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCOCC(C)(C)NS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C11H17N3O3S2/c1-11(2,7-17-3)14-19(15,16)8-5-4-6-13-9(8)10(12)18/h4-6,14H,7H2,1-3H3,(H2,12,18)
InChIKeyZYJGXWZKHKEXNL-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.42
Rot. Bonds6

About 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide

3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597836) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID106597836
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide
SMILESCOCC(C)(C)NS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C11H17N3O3S2/c1-11(2,7-17-3)14-19(15,16)8-5-4-6-13-9(8)10(12)18/h4-6,14H,7H2,1-3H3,(H2,12,18)
InChIKeyZYJGXWZKHKEXNL-UHFFFAOYSA-N
XLogP0.42
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4,4-trimethylpentan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597062
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(2-ethoxy-2-methylpropyl)sulfamoyl]pyridine-2-carbothioamide
CID 106597973
3-(3,3-dimethylbutan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597826
ethyl 3-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]propanoate
CID 106597141
methyl 2-[(2-carbamothioyl-3-pyridinyl)sulfonylamino]-3-methylbutanoate
CID 106596603
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383
3-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596464
3-(phenylsulfamoyl)pyridine-2-carbothioamide
CID 106596278
methyl 2-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]benzoate
CID 103833585
3-[(2,6-dibromophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107600488
3-(dicyclopropylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106596886

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide (CID 106597836) is 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide is COCC(C)(C)NS(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is ZYJGXWZKHKEXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-11(2,7-17-3)14-19(15,16)8-5-4-6-13-9(8)10(12)18/h4-6,14H,7H2,1-3H3,(H2,12,18).
What are the key properties of 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide?
3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 303.41 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).