[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine

C14H20F2N2O2S — CID 103442531

IUPAC[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(c2ccccc2S(=O)(=O)C(F)F)C(CN)C1
InChIInChI=1S/C14H20F2N2O2S/c1-10-6-7-18(11(8-10)9-17)12-4-2-3-5-13(12)21(19,20)14(15)16/h2-5,10-11,14H,6-9,17H2,1H3
InChIKeyKOFKCDRZCPGYEN-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.25
Rot. Bonds4

About [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine

[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103442531) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103442531
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(c2ccccc2S(=O)(=O)C(F)F)C(CN)C1
InChIInChI=1S/C14H20F2N2O2S/c1-10-6-7-18(11(8-10)9-17)12-4-2-3-5-13(12)21(19,20)14(15)16/h2-5,10-11,14H,6-9,17H2,1H3
InChIKeyKOFKCDRZCPGYEN-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidine
CID 102786244
3-[1-[2-(difluoromethylsulfonyl)phenyl]pyrrolidin-2-yl]propan-1-amine
CID 63760645
1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
CID 55104398
2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
CID 61146696
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
CID 103353710
1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpiperidin-4-ol
CID 114680750
2-[2-(aminomethyl)azepan-1-yl]-N,N-dimethylbenzenesulfonamide
CID 116640203
[4-methyl-1-(3-methylquinoxalin-2-yl)piperidin-2-yl]methanamine
CID 103442544
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 102784168
1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 103577764
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide
CID 103442379
1-[2-(difluoromethylsulfonyl)phenyl]piperidine-2-carboxylic acid
CID 43455346

Frequently Asked Questions

What is the IUPAC name of [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine (CID 103442531) is [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine is CC1CCN(c2ccccc2S(=O)(=O)C(F)F)C(CN)C1.
What is the InChIKey of [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is KOFKCDRZCPGYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-10-6-7-18(11(8-10)9-17)12-4-2-3-5-13(12)21(19,20)14(15)16/h2-5,10-11,14H,6-9,17H2,1H3.
What are the key properties of [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine?
[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 318.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103442531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).