N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine

C13H18F2N2O2S — CID 63643765

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine
SMILESCN(c1ccccc1S(=O)(=O)C(F)F)C1CCCNC1
InChIInChI=1S/C13H18F2N2O2S/c1-17(10-5-4-8-16-9-10)11-6-2-3-7-12(11)20(18,19)13(14)15/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3
InChIKeyWQTLPIKVDYOIQE-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine

N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine (PubChem CID 63643765) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine
PubChem CID63643765
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine
SMILESCN(c1ccccc1S(=O)(=O)C(F)F)C1CCCNC1
InChIInChI=1S/C13H18F2N2O2S/c1-17(10-5-4-8-16-9-10)11-6-2-3-7-12(11)20(18,19)13(14)15/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3
InChIKeyWQTLPIKVDYOIQE-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136
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CID 63301799
2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol
CID 102868971
N-(2-cyclopropylethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 133398357
N-methyl-N-(2-methylphenyl)azepan-4-amine
CID 112690295
N-(2-chloroethyl)-2-(difluoromethylsulfonyl)-N-methylaniline
CID 63388745
N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642307
N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
4-[2-(difluoromethylsulfonyl)phenoxy]piperidine
CID 62341872
N-methyl-N-piperidin-3-ylpyridin-3-amine
CID 83698004

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine (CID 63643765) is N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine is CN(c1ccccc1S(=O)(=O)C(F)F)C1CCCNC1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine?
The InChIKey is WQTLPIKVDYOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-17(10-5-4-8-16-9-10)11-6-2-3-7-12(11)20(18,19)13(14)15/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3.
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine?
N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine has a molecular weight of 304.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 63643765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).