1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide

C7H14F2N2O2S — CID 114696752

IUPAC1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide
SMILESCC1(NS(=O)(=O)C(F)F)CCNCC1
InChIInChI=1S/C7H14F2N2O2S/c1-7(2-4-10-5-3-7)11-14(12,13)6(8)9/h6,10-11H,2-5H2,1H3
InChIKeyWGOYKSJZDRMHOX-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.27
Rot. Bonds3

About 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide

1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide (PubChem CID 114696752) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide
PubChem CID114696752
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide
SMILESCC1(NS(=O)(=O)C(F)F)CCNCC1
InChIInChI=1S/C7H14F2N2O2S/c1-7(2-4-10-5-3-7)11-14(12,13)6(8)9/h6,10-11H,2-5H2,1H3
InChIKeyWGOYKSJZDRMHOX-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate
CID 114696700
N-(cyclopropylsulfamoyl)-4-methylpiperidin-4-amine
CID 114811401
N-(4-methylpiperidin-4-yl)-2-methylsulfonylpropanamide
CID 114696256
3,5-dimethyl-N-(4-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114696800
4-[(4-methylpiperidin-4-yl)sulfamoyl]butanoic acid
CID 114696709
1-(1,4-dioxan-2-yl)-N-(4-methylpiperidin-4-yl)methanesulfonamide;hydrochloride
CID 154907710
N,4-dimethylpiperidin-4-amine;ethane
CID 162525736
2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
(E)-N-(4-methylpiperidin-4-yl)-2-phenylethenesulfonamide
CID 114696836
N-(1-methylcyclopentyl)piperidine-4-sulfonamide
CID 64688461
3-methyl-N-(4-methylpiperidin-4-yl)piperidine-1-sulfonamide
CID 114696743
[(4-methylpiperidin-4-yl)amino]carbamic acid
CID 174694295

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide (CID 114696752) is 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide is CC1(NS(=O)(=O)C(F)F)CCNCC1.
What is the InChIKey of 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide?
The InChIKey is WGOYKSJZDRMHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c1-7(2-4-10-5-3-7)11-14(12,13)6(8)9/h6,10-11H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide?
1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(4-methylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 114696752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).