N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide

C9H18F2N2O2S — CID 139343599

IUPACN-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@@H]1NC[C@H](C)C(F)(F)[C@@H]1CNS(C)(=O)=O
InChIInChI=1S/C9H18F2N2O2S/c1-6-4-12-7(2)8(9(6,10)11)5-13-16(3,14)15/h6-8,12-13H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyHFWROJXOISLEAD-BIIVOSGPSA-N
MW256.32 g/mol
LogP0.41
Rot. Bonds3

About N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide

N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139343599) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
PubChem CID139343599
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@@H]1NC[C@H](C)C(F)(F)[C@@H]1CNS(C)(=O)=O
InChIInChI=1S/C9H18F2N2O2S/c1-6-4-12-7(2)8(9(6,10)11)5-13-16(3,14)15/h6-8,12-13H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyHFWROJXOISLEAD-BIIVOSGPSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide (CID 139343599) is N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide is C[C@@H]1NC[C@H](C)C(F)(F)[C@@H]1CNS(C)(=O)=O.
What is the InChIKey of N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is HFWROJXOISLEAD-BIIVOSGPSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-6-4-12-7(2)8(9(6,10)11)5-13-16(3,14)15/h6-8,12-13H,4-5H2,1-3H3/t6-,7-,8+/m0/s1.
What are the key properties of N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide?
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139343599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).