2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide

C10H18F3N3O2S2 — CID 114808182

IUPAC2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3N3O2S2/c11-10(12,13)6-15-20(17,18)16-8(9(14)19)7-4-2-1-3-5-7/h7-8,15-16H,1-6H2,(H2,14,19)
InChIKeyOQBLHSUQHIATDY-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.21
Rot. Bonds6

About 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide

2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide (PubChem CID 114808182) has the molecular formula C10H18F3N3O2S2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
PubChem CID114808182
Molecular FormulaC10H18F3N3O2S2
Molecular Weight333.40 g/mol
Exact Mass333.08
IUPAC Name2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
SMILESNC(=S)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H18F3N3O2S2/c11-10(12,13)6-15-20(17,18)16-8(9(14)19)7-4-2-1-3-5-7/h7-8,15-16H,1-6H2,(H2,14,19)
InChIKeyOQBLHSUQHIATDY-UHFFFAOYSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-(2-methoxyethylsulfonylamino)ethanethioamide
CID 55014070
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
2-phenyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 114808176
2-cyclohexyl-2-[(4-methylpiperidin-1-yl)sulfonylamino]ethanethioamide
CID 61122500
[2-(2,2,2-trifluoroethylsulfamoylamino)cyclohexyl]methanol
CID 106543952
3-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
CID 114805745
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-cyclohexylethanethioamide
CID 80577398
2-[(3-bromothiophen-2-yl)sulfonylamino]-2-cyclohexylethanethioamide
CID 61458044
2-cyclohexyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978261
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-propylurea
CID 61124824

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide (CID 114808182) is 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide.
What is the SMILES notation for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The canonical SMILES for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide is NC(=S)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
The InChIKey is OQBLHSUQHIATDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2S2/c11-10(12,13)6-15-20(17,18)16-8(9(14)19)7-4-2-1-3-5-7/h7-8,15-16H,1-6H2,(H2,14,19).
What are the key properties of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide?
2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide has a molecular weight of 333.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide is sourced from PubChem (CID 114808182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).