1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride

C13H18ClF3N2O2S — CID 120706026

IUPAC1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1
InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)8-10-3-5-12(6-4-10)21(19,20)18-7-1-2-11(17)9-18;/h3-6,11H,1-2,7-9,17H2;1H
InChIKeyGHNSYGGLENXSLF-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride

1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120706026) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120706026
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC Name1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1
InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)8-10-3-5-12(6-4-10)21(19,20)18-7-1-2-11(17)9-18;/h3-6,11H,1-2,7-9,17H2;1H
InChIKeyGHNSYGGLENXSLF-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
4-(3-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide;hydrochloride
CID 119959773
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CID 43605483
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
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5-(3-aminopiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 120998766
1-[4-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)phenyl]sulfonylpiperidin-3-amine
CID 175831489
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
2-[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]acetonitrile
CID 165180543
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride (CID 120706026) is 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride is Cl.NC1CCCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is GHNSYGGLENXSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)8-10-3-5-12(6-4-10)21(19,20)18-7-1-2-11(17)9-18;/h3-6,11H,1-2,7-9,17H2;1H.
What are the key properties of 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 358.81 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120706026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).