2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide

C8H15F3N2O3S2 — CID 107479818

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S2/c1-2-6(7(12)17)18(15,16)13(3-4-14)5-8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,17)
InChIKeyIHNMAAFSYKEHRS-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.24
Rot. Bonds7

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide (PubChem CID 107479818) has the molecular formula C8H15F3N2O3S2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide
PubChem CID107479818
Molecular FormulaC8H15F3N2O3S2
Molecular Weight308.35 g/mol
Exact Mass308.05
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S2/c1-2-6(7(12)17)18(15,16)13(3-4-14)5-8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,17)
InChIKeyIHNMAAFSYKEHRS-UHFFFAOYSA-N
XLogP0.24
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide (CID 107479818) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide is CCC(C(N)=S)S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide?
The InChIKey is IHNMAAFSYKEHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S2/c1-2-6(7(12)17)18(15,16)13(3-4-14)5-8(9,10)11/h6,14H,2-5H2,1H3,(H2,12,17).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide has a molecular weight of 308.35 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]butanethioamide is sourced from PubChem (CID 107479818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).