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

C8H16F2N2O3S2 — CID 107479810

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H16F2N2O3S2/c1-2-6(8(11)16)17(14,15)12(3-4-13)5-7(9)10/h6-7,13H,2-5H2,1H3,(H2,11,16)
InChIKeyLSNMBUIHRJUOSX-UHFFFAOYSA-N
MW290.36 g/mol
LogP-0.06
Rot. Bonds8

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

2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide (PubChem CID 107479810) has the molecular formula C8H16F2N2O3S2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide
PubChem CID107479810
Molecular FormulaC8H16F2N2O3S2
Molecular Weight290.36 g/mol
Exact Mass290.06
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H16F2N2O3S2/c1-2-6(8(11)16)17(14,15)12(3-4-13)5-7(9)10/h6-7,13H,2-5H2,1H3,(H2,11,16)
InChIKeyLSNMBUIHRJUOSX-UHFFFAOYSA-N
XLogP-0.06
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide (CID 107479810) is 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide is CCC(C(N)=S)S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide?
The InChIKey is LSNMBUIHRJUOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O3S2/c1-2-6(8(11)16)17(14,15)12(3-4-13)5-7(9)10/h6-7,13H,2-5H2,1H3,(H2,11,16).
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide?
2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide has a molecular weight of 290.36 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanethioamide is sourced from PubChem (CID 107479810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).