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

C8H16F2N2O2S — CID 139343667

IUPACN-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1NCCC(F)(F)C1CNS(C)(=O)=O
InChIInChI=1S/C8H16F2N2O2S/c1-6-7(5-12-15(2,13)14)8(9,10)3-4-11-6/h6-7,11-12H,3-5H2,1-2H3
InChIKeyHYSPQMHIYATUOO-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.17
Rot. Bonds3

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

N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343667) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343667
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1NCCC(F)(F)C1CNS(C)(=O)=O
InChIInChI=1S/C8H16F2N2O2S/c1-6-7(5-12-15(2,13)14)8(9,10)3-4-11-6/h6-7,11-12H,3-5H2,1-2H3
InChIKeyHYSPQMHIYATUOO-UHFFFAOYSA-N
XLogP0.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.17
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-methylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide (CID 139343667) is N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide is CC1NCCC(F)(F)C1CNS(C)(=O)=O.
What is the InChIKey of N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is HYSPQMHIYATUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-6-7(5-12-15(2,13)14)8(9,10)3-4-11-6/h6-7,11-12H,3-5H2,1-2H3.
What are the key properties of N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.17, 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-methylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).