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

C16H26N2O2S — CID 115312556

IUPAC2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(N)CC2C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-7-6-15(17)9-12(18)3/h8,12,15H,6-7,9,17H2,1-5H3
InChIKeyDIXDQMAHTKZXLM-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.42
Rot. Bonds2

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

2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine (PubChem CID 115312556) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
PubChem CID115312556
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(N)CC2C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-7-6-15(17)9-12(18)3/h8,12,15H,6-7,9,17H2,1-5H3
InChIKeyDIXDQMAHTKZXLM-UHFFFAOYSA-N
XLogP2.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine (CID 115312556) is 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(N)CC2C)c1C.
What is the InChIKey of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is DIXDQMAHTKZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-8-11(2)14(5)16(13(10)4)21(19,20)18-7-6-15(17)9-12(18)3/h8,12,15H,6-7,9,17H2,1-5H3.
What are the key properties of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine?
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 310.46 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 115312556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).