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

Name: 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₂F₃N₃O₂S₂ — CID 114614340

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID	114614340
Molecular Formula	C₁₀H₁₂F₃N₃O₂S₂
Molecular Weight	327.35 g/mol
Exact Mass	327.03
IUPAC Name	5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]pyridine-2-carbothioamide
SMILES	CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(N)=S)nc1
InChI	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)
InChIKey	MHDCVARUOMBBSH-UHFFFAOYSA-N
XLogP	1.29
TPSA	76.29 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.35
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 114614340 — identifiers, structure, computed properties (public domain)

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