1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide

C8H14F2N2O2S — CID 107487817

IUPAC1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCC1=CCNCC1)C(F)F
InChIInChI=1S/C8H14F2N2O2S/c9-8(10)15(13,14)12-6-3-7-1-4-11-5-2-7/h1,8,11-12H,2-6H2
InChIKeyVGWCPOIQNPUCBR-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.44
Rot. Bonds5

About 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide

1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide (PubChem CID 107487817) has the molecular formula C8H14F2N2O2S and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide
PubChem CID107487817
Molecular FormulaC8H14F2N2O2S
Molecular Weight240.27 g/mol
Exact Mass240.07
IUPAC Name1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCC1=CCNCC1)C(F)F
InChIInChI=1S/C8H14F2N2O2S/c9-8(10)15(13,14)12-6-3-7-1-4-11-5-2-7/h1,8,11-12H,2-6H2
InChIKeyVGWCPOIQNPUCBR-UHFFFAOYSA-N
XLogP0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide (CID 107487817) is 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide is O=S(=O)(NCCC1=CCNCC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide?
The InChIKey is VGWCPOIQNPUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2S/c9-8(10)15(13,14)12-6-3-7-1-4-11-5-2-7/h1,8,11-12H,2-6H2.
What are the key properties of 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide?
1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide has a molecular weight of 240.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 107487817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).