N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine

C21H28N2O2S — CID 146627918

IUPACN-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine
SMILESCc1ccc(NC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-15-5-7-19(8-6-15)22-20-9-11-23(12-10-20)26(24,25)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,20,22H,9-12H2,1-4H3
InChIKeyYZXHLFMGQCTRMS-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.19
Rot. Bonds4

About N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine

N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine (PubChem CID 146627918) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine
PubChem CID146627918
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine
SMILESCc1ccc(NC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-15-5-7-19(8-6-15)22-20-9-11-23(12-10-20)26(24,25)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,20,22H,9-12H2,1-4H3
InChIKeyYZXHLFMGQCTRMS-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine (CID 146627918) is N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine is Cc1ccc(NC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is YZXHLFMGQCTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-15-5-7-19(8-6-15)22-20-9-11-23(12-10-20)26(24,25)21-17(3)13-16(2)14-18(21)4/h5-8,13-14,20,22H,9-12H2,1-4H3.
What are the key properties of N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine?
N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 372.53 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 146627918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).