N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide

C8H16F2N2O2S — CID 166008470

IUPACN-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCN1CCC(F)(F)C(CNS(C)(=O)=O)C1
InChIInChI=1S/C8H16F2N2O2S/c1-12-4-3-8(9,10)7(6-12)5-11-15(2,13)14/h7,11H,3-6H2,1-2H3
InChIKeyKTUPUHQFGZIIOH-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.12
Rot. Bonds3

About N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide

N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 166008470) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID166008470
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCN1CCC(F)(F)C(CNS(C)(=O)=O)C1
InChIInChI=1S/C8H16F2N2O2S/c1-12-4-3-8(9,10)7(6-12)5-11-15(2,13)14/h7,11H,3-6H2,1-2H3
InChIKeyKTUPUHQFGZIIOH-UHFFFAOYSA-N
XLogP0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide (CID 166008470) is N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide is CN1CCC(F)(F)C(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is KTUPUHQFGZIIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-12-4-3-8(9,10)7(6-12)5-11-15(2,13)14/h7,11H,3-6H2,1-2H3.
What are the key properties of N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 166008470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).