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

C9H18F2N2O2S — CID 139343963

IUPACN-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1NCC(C)C(F)(F)C1CNS(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
InChIKeyHFWROJXOISLEAD-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.41
Rot. Bonds3

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

N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343963) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343963
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1NCC(C)C(F)(F)C1CNS(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
InChIKeyHFWROJXOISLEAD-UHFFFAOYSA-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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Related Compounds

N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
(3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine
CID 98227926
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
4-[[(2S)-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 97820897
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 113902909
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 58864919
1,1,1-trifluoro-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 61791527
1,1,1-trifluoro-N-[[(3S)-piperidin-3-yl]methyl]methanesulfonamide
CID 68237974
1-(Difluoromethylsulfonyl)-5-methylpiperidin-3-amine
CID 79992750
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 121357711
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 121357714
N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 121358961

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide (CID 139343963) is N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide is CC1NCC(C)C(F)(F)C1CNS(C)(=O)=O.
What is the InChIKey of N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is HFWROJXOISLEAD-UHFFFAOYSA-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.
What are the key properties of N-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(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-[(4,4-difluoro-2,5-dimethylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).