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

C15H24N2O5S — CID 120874755

IUPAC[1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCCCC2CN)c(OC)c1
InChIInChI=1S/C15H24N2O5S/c1-20-12-8-13(21-2)15(14(9-12)22-3)23(18,19)17-7-5-4-6-11(17)10-16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyRAIGIXFGAPIZJS-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.21
Rot. Bonds6

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

[1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 120874755) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine
PubChem CID120874755
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name[1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCCCC2CN)c(OC)c1
InChIInChI=1S/C15H24N2O5S/c1-20-12-8-13(21-2)15(14(9-12)22-3)23(18,19)17-7-5-4-6-11(17)10-16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyRAIGIXFGAPIZJS-UHFFFAOYSA-N
XLogP1.21
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
[1-(3-methoxy-4-nitrophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969231
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969331
methyl 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-3-methoxybenzoate
CID 120707972
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[(2S)-1-(2-bromo-5-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688419
(2S,3S)-2-methyl-1-(2,4,6-trimethoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122104930
methyl 3-[2-(aminomethyl)piperidin-1-yl]sulfonyl-4-methylthiophene-2-carboxylate;hydrochloride
CID 120874742
3-amino-N-[[1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120713493
dimethyl 5-[2-(aminomethyl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 119969379
1,4-bis[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one
CID 68644209
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297

Frequently Asked Questions

What is the IUPAC name of [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine (CID 120874755) is [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine is COc1cc(OC)c(S(=O)(=O)N2CCCCC2CN)c(OC)c1.
What is the InChIKey of [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is RAIGIXFGAPIZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-20-12-8-13(21-2)15(14(9-12)22-3)23(18,19)17-7-5-4-6-11(17)10-16/h8-9,11H,4-7,10,16H2,1-3H3.
What are the key properties of [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine?
[1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 344.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 120874755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).