[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride

C14H20ClF3N2O2S — CID 120999453

IUPAC[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-10-8-12(14(15,16)17)2-3-13(10)22(20,21)19-6-4-11(9-18)5-7-19;/h2-3,8,11H,4-7,9,18H2,1H3;1H
InChIKeyCSWSYJWBSQLATM-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.80
Rot. Bonds3

About [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride

[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 120999453) has the molecular formula C14H20ClF3N2O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID120999453
Molecular FormulaC14H20ClF3N2O2S
Molecular Weight372.84 g/mol
Exact Mass372.09
IUPAC Name[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-10-8-12(14(15,16)17)2-3-13(10)22(20,21)19-6-4-11(9-18)5-7-19;/h2-3,8,11H,4-7,9,18H2,1H3;1H
InChIKeyCSWSYJWBSQLATM-UHFFFAOYSA-N
XLogP2.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990240
1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 120999360
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
methyl 4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-3-methylbenzoate
CID 119963969
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119987410
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
(3R)-1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962428
1-[1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978495
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868

Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 120999453) is [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride is Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(CN)CC1.Cl.
What is the InChIKey of [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is CSWSYJWBSQLATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S.ClH/c1-10-8-12(14(15,16)17)2-3-13(10)22(20,21)19-6-4-11(9-18)5-7-19;/h2-3,8,11H,4-7,9,18H2,1H3;1H.
What are the key properties of [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride?
[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 372.84 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120999453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).