1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide

C8H16F2N2O2S — CID 43200307

IUPAC1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCC1CCCCN1)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12-6-4-7-3-1-2-5-11-7/h7-8,11-12H,1-6H2
InChIKeyACEXBLYUDNWBEL-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.66
Rot. Bonds5

About 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide

1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide (PubChem CID 43200307) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
PubChem CID43200307
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC Name1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCC1CCCCN1)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12-6-4-7-3-1-2-5-11-7/h7-8,11-12H,1-6H2
InChIKeyACEXBLYUDNWBEL-UHFFFAOYSA-N
XLogP0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide (CID 43200307) is 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide is O=S(=O)(NCCC1CCCCN1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The InChIKey is ACEXBLYUDNWBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c9-8(10)15(13,14)12-6-4-7-3-1-2-5-11-7/h7-8,11-12H,1-6H2.
What are the key properties of 1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide?
1,1-difluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.66, 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-piperidin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 43200307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).