N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide

C9H19F2N3O2S — CID 139343709

IUPACN-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide
SMILESCN(C)C1CNCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H19F2N3O2S/c1-14(2)8-6-12-4-7(9(8,10)11)5-13-17(3,15)16/h7-8,12-13H,4-6H2,1-3H3
InChIKeyZOPMJUUAPDHEQA-UHFFFAOYSA-N
MW271.33 g/mol
LogP-0.68
Rot. Bonds4

About N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide

N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139343709) has the molecular formula C9H19F2N3O2S and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide
PubChem CID139343709
Molecular FormulaC9H19F2N3O2S
Molecular Weight271.33 g/mol
Exact Mass271.12
IUPAC NameN-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide
SMILESCN(C)C1CNCC(CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C9H19F2N3O2S/c1-14(2)8-6-12-4-7(9(8,10)11)5-13-17(3,15)16/h7-8,12-13H,4-6H2,1-3H3
InChIKeyZOPMJUUAPDHEQA-UHFFFAOYSA-N
XLogP-0.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-3-methylpiperidinium trifluoromethanesulfonate
CID 137321312
N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
N-methyl-N-{2-[(1-methylpiperidin-4-yl)amino]ethyl}methanesulfonamide
CID 50954696
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]methanesulfonamide
CID 77059137
4-[[(2S)-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 97820897
N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 57993191
N-[(1-tert-butylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 58864919
N-[[1-(3-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 69191416
N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811669
N-[[1-(3,3-dimethylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811729
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide (CID 139343709) is N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide is CN(C)C1CNCC(CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ZOPMJUUAPDHEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N3O2S/c1-14(2)8-6-12-4-7(9(8,10)11)5-13-17(3,15)16/h7-8,12-13H,4-6H2,1-3H3.
What are the key properties of N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide?
N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 271.33 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylamino)-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139343709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).