5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide

C10H12F3N3O2S2 — CID 114614340

IUPAC5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C10H12F3N3O2S2/c1-2-16(6-10(11,12)13)20(17,18)7-3-4-8(9(14)19)15-5-7/h3-5H,2,6H2,1H3,(H2,14,19)
InChIKeyMHDCVARUOMBBSH-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.29
Rot. Bonds5

About 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide

5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614340) has the molecular formula C10H12F3N3O2S2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614340
Molecular FormulaC10H12F3N3O2S2
Molecular Weight327.35 g/mol
Exact Mass327.03
IUPAC Name5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=S)nc1
InChIInChI=1S/C10H12F3N3O2S2/c1-2-16(6-10(11,12)13)20(17,18)7-3-4-8(9(14)19)15-5-7/h3-5H,2,6H2,1H3,(H2,14,19)
InChIKeyMHDCVARUOMBBSH-UHFFFAOYSA-N
XLogP1.29
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[bis(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614213
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
5-[propan-2-yl(propyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614117
5-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-2-carbothioamide
CID 114614476
5-(3,3,3-trifluoropropylsulfamoyl)pyridine-2-carbothioamide
CID 114614446
5-[methyl(pentan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614174
4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzenecarbothioamide
CID 79376789
5-[cyclopentylmethyl(methyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614470
5-[methyl(1H-pyrazol-4-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614500
5-[methyl-(4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614394
5-(2,2-dimethylbutylsulfamoyl)pyridine-2-carbothioamide
CID 103461809
5-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-2-carbothioamide
CID 114614521

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide (CID 114614340) is 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide is CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is MHDCVARUOMBBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S2/c1-2-16(6-10(11,12)13)20(17,18)7-3-4-8(9(14)19)15-5-7/h3-5H,2,6H2,1H3,(H2,14,19).
What are the key properties of 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide?
5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 327.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).