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

C10H22F2N2O2S — CID 162066506

IUPACN-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane
SMILESC.C[C@@H]1NC[C@H](C)C(F)(F)[C@@H]1CNS(C)(=O)=O
InChIInChI=1S/C9H18F2N2O2S.CH4/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;1H4/t6-,7-,8+;/m0./s1
InChIKeyZANIBAISEHKJJG-CGJXVAEWSA-N
MW272.36 g/mol
LogP1.05
Rot. Bonds3

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

N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane (PubChem CID 162066506) has the molecular formula C10H22F2N2O2S and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane.

Molecular Properties

Compound NameN-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane
PubChem CID162066506
Molecular FormulaC10H22F2N2O2S
Molecular Weight272.36 g/mol
Exact Mass272.14
IUPAC NameN-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane
SMILESC.C[C@@H]1NC[C@H](C)C(F)(F)[C@@H]1CNS(C)(=O)=O
InChIInChI=1S/C9H18F2N2O2S.CH4/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;1H4/t6-,7-,8+;/m0./s1
InChIKeyZANIBAISEHKJJG-CGJXVAEWSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane with MolForge

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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
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
N-[(3-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 121358964

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane?
The IUPAC name of N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane (CID 162066506) is N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane.
What is the SMILES notation for N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane?
The canonical SMILES for N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane is C.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;methane?
The InChIKey is ZANIBAISEHKJJG-CGJXVAEWSA-N. The full InChI is InChI=1S/C9H18F2N2O2S.CH4/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;1H4/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;methane?
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;methane has a molecular weight of 272.36 g/mol, XLogP of 1.05, 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;methane is sourced from PubChem (CID 162066506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).