[4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine

C15H24N2O2S — CID 21260407

IUPAC[4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine
SMILESCc1cc(C)c(S(=O)(=O)C2CCN(CN)CC2)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-11-8-12(2)15(13(3)9-11)20(18,19)14-4-6-17(10-16)7-5-14/h8-9,14H,4-7,10,16H2,1-3H3
InChIKeyKFOGHTZYJXIQNS-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.77
Rot. Bonds3

About [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine

[4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine (PubChem CID 21260407) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine.

Molecular Properties

Compound Name[4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine
PubChem CID21260407
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine
SMILESCc1cc(C)c(S(=O)(=O)C2CCN(CN)CC2)c(C)c1
InChIInChI=1S/C15H24N2O2S/c1-11-8-12(2)15(13(3)9-11)20(18,19)14-4-6-17(10-16)7-5-14/h8-9,14H,4-7,10,16H2,1-3H3
InChIKeyKFOGHTZYJXIQNS-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[3-(2,4,6-trimethylphenyl)sulfonylpropyl]piperidine
CID 163441854
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine
CID 54793607
6-amino-3-chloro-2-[1-(2-fluoroethyl)piperidin-4-yl]sulfonylphenol
CID 118554774
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992733
1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 95753283
[(1R,2R)-2-[(2,4,6-trimethylphenyl)sulfonyloxymethyl]cyclobutyl]methyl 2,4,6-trimethylbenzenesulfonate
CID 10648416
2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol
CID 117037386
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119961271

Frequently Asked Questions

What is the IUPAC name of [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine?
The IUPAC name of [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine (CID 21260407) is [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine.
What is the SMILES notation for [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine?
The canonical SMILES for [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine is Cc1cc(C)c(S(=O)(=O)C2CCN(CN)CC2)c(C)c1.
What is the InChIKey of [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine?
The InChIKey is KFOGHTZYJXIQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-8-12(2)15(13(3)9-11)20(18,19)14-4-6-17(10-16)7-5-14/h8-9,14H,4-7,10,16H2,1-3H3.
What are the key properties of [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine?
[4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4,6-trimethylphenyl)sulfonylpiperidin-1-yl]methanamine is sourced from PubChem (CID 21260407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).