3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride

C16H27ClN2O2S — CID 119984054

IUPAC3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(N)C(C)C2)c1C.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-7-6-15(17)12(3)9-18;/h8,12,15H,6-7,9,17H2,1-5H3;1H
InChIKeyROYOIVIVTUGLQX-UHFFFAOYSA-N
MW346.92 g/mol
LogP2.70
Rot. Bonds2

About 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride

3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119984054) has the molecular formula C16H27ClN2O2S and a molecular weight of 346.92 g/mol. Its IUPAC name is 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119984054
Molecular FormulaC16H27ClN2O2S
Molecular Weight346.92 g/mol
Exact Mass346.15
IUPAC Name3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(N)C(C)C2)c1C.Cl
InChIInChI=1S/C16H26N2O2S.ClH/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-7-6-15(17)12(3)9-18;/h8,12,15H,6-7,9,17H2,1-5H3;1H
InChIKeyROYOIVIVTUGLQX-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.92
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 119982062
(3S,4S)-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135107188
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866
3-(4-amino-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzonitrile;hydrochloride
CID 119984082
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
3-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119984000

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 119984054) is 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(N)C(C)C2)c1C.Cl.
What is the InChIKey of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is ROYOIVIVTUGLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S.ClH/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-7-6-15(17)12(3)9-18;/h8,12,15H,6-7,9,17H2,1-5H3;1H.
What are the key properties of 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 346.92 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).