3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine

C13H17F3N2O2S — CID 120779666

IUPAC3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCC1N
InChIInChI=1S/C13H17F3N2O2S/c1-13(2)7-18(6-5-10(13)17)21(19,20)9-4-3-8(14)11(15)12(9)16/h3-4,10H,5-7,17H2,1-2H3
InChIKeySTFMIZXEEKHVNE-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.85
Rot. Bonds2

About 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine

3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine (PubChem CID 120779666) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
PubChem CID120779666
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCC1N
InChIInChI=1S/C13H17F3N2O2S/c1-13(2)7-18(6-5-10(13)17)21(19,20)9-4-3-8(14)11(15)12(9)16/h3-4,10H,5-7,17H2,1-2H3
InChIKeySTFMIZXEEKHVNE-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
1-(4-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779305
1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779398
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-fluorobenzoate
CID 120778974
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779646
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-4-fluorobenzoate
CID 120779192
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120779638
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120706957

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine (CID 120779666) is 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine is CC1(C)CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is STFMIZXEEKHVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-13(2)7-18(6-5-10(13)17)21(19,20)9-4-3-8(14)11(15)12(9)16/h3-4,10H,5-7,17H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine?
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 322.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 120779666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).