N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide

C8H16F2N2O2S — CID 60805703

IUPACN-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-2-12(15(13,14)8(9)10)7-4-3-5-11-6-7/h7-8,11H,2-6H2,1H3
InChIKeyRKWINPSHAPMQHP-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.61
Rot. Bonds4

About N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide

N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide (PubChem CID 60805703) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide
PubChem CID60805703
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H16F2N2O2S/c1-2-12(15(13,14)8(9)10)7-4-3-5-11-6-7/h7-8,11H,2-6H2,1H3
InChIKeyRKWINPSHAPMQHP-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide (CID 60805703) is N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide is CCN(C1CCCNC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide?
The InChIKey is RKWINPSHAPMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-2-12(15(13,14)8(9)10)7-4-3-5-11-6-7/h7-8,11H,2-6H2,1H3.
What are the key properties of N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide?
N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-N-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 60805703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).