3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine

C13H17F3N2O2S — CID 107070709

IUPAC3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
SMILESCC1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1N
InChIInChI=1S/C13H17F3N2O2S/c1-9-4-3-7-18(12(9)17)21(19,20)11-6-2-5-10(8-11)13(14,15)16/h2,5-6,8-9,12H,3-4,7,17H2,1H3
InChIKeySJNBIJIUEATSGB-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.41
Rot. Bonds2

About 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine

3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine (PubChem CID 107070709) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
PubChem CID107070709
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
SMILESCC1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1N
InChIInChI=1S/C13H17F3N2O2S/c1-9-4-3-7-18(12(9)17)21(19,20)11-6-2-5-10(8-11)13(14,15)16/h2,5-6,8-9,12H,3-4,7,17H2,1H3
InChIKeySJNBIJIUEATSGB-UHFFFAOYSA-N
XLogP2.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122105471
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990859
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965190
2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3253254
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 47026868
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070785
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetic acid
CID 57436798
2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 46823397
N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 3652452
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
3-(piperidin-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-thiazepane
CID 90569060
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 3463250

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine?
The IUPAC name of 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine (CID 107070709) is 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine.
What is the SMILES notation for 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine?
The canonical SMILES for 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine is CC1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1N.
What is the InChIKey of 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine?
The InChIKey is SJNBIJIUEATSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-9-4-3-7-18(12(9)17)21(19,20)11-6-2-5-10(8-11)13(14,15)16/h2,5-6,8-9,12H,3-4,7,17H2,1H3.
What are the key properties of 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine?
3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine has a molecular weight of 322.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine is sourced from PubChem (CID 107070709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).