N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide

C8H16F2N2O2S — CID 139343607

IUPACN-[(4,4-difluoro-5-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1CNCC(C1(F)F)CNS(=O)(=O)C
InChIInChI=1S/C8H16F2N2O2S/c1-6-3-11-4-7(8(6,9)10)5-12-15(2,13)14/h6-7,11-12H,3-5H2,1-2H3
InChIKeyRFILZUOCQHJQRV-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.40
Rot. Bonds3

About N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide

N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide (PubChem CID 139343607) has the molecular formula C8H16F2N2O2S and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[(4,4-difluoro-5-methylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide
PubChem CID139343607
Molecular FormulaC8H16F2N2O2S
Molecular Weight242.29 g/mol
Exact Mass242.09
IUPAC NameN-[(4,4-difluoro-5-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1CNCC(C1(F)F)CNS(=O)(=O)C
InChIInChI=1S/C8H16F2N2O2S/c1-6-3-11-4-7(8(6,9)10)5-12-15(2,13)14/h6-7,11-12H,3-5H2,1-2H3
InChIKeyRFILZUOCQHJQRV-UHFFFAOYSA-N
XLogP0.40
TPSA66.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity313

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(piperidin-3-ylmethyl)methanesulfonamide
CID 4343050
1-Butyl-3-methylpiperidinium trifluoromethanesulfonate
CID 137321312
N-((piperidin-3-yl)methyl)propane-2-sulfonamide
CID 47002636
N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
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
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17762144
2-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]ethanamine
CID 17762145
N-[[4-(aminomethyl)piperidin-4-yl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 18614340
(1-((Difluoromethyl)sulfonyl)piperidin-4-yl)methanamine
CID 43605257
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 58864919
N-[(3-fluoro-1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 59268340

Frequently Asked Questions

What is the IUPAC name of N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide?
The IUPAC name of N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide (CID 139343607) is N-[(4,4-difluoro-5-methylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide?
The canonical SMILES for N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide is CC1CNCC(C1(F)F)CNS(=O)(=O)C.
What is the InChIKey of N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide?
The InChIKey is RFILZUOCQHJQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2S/c1-6-3-11-4-7(8(6,9)10)5-12-15(2,13)14/h6-7,11-12H,3-5H2,1-2H3.
What are the key properties of N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide?
N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide has a molecular weight of 242.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-((4,4-Difluoro-5-methylpiperidin-3-yl)methyl)methanesulfonamide is sourced from PubChem (CID 139343607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).