2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline

C15H24N2O2S — CID 114591958

IUPAC2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)N2CC(C)CC(C)C2C)cc1N
InChIInChI=1S/C15H24N2O2S/c1-10-7-12(3)13(4)17(9-10)20(18,19)14-6-5-11(2)15(16)8-14/h5-6,8,10,12-13H,7,9,16H2,1-4H3
InChIKeyGWHTYIXOEQJXOQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.63
Rot. Bonds2

About 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline

2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline (PubChem CID 114591958) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
PubChem CID114591958
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)N2CC(C)CC(C)C2C)cc1N
InChIInChI=1S/C15H24N2O2S/c1-10-7-12(3)13(4)17(9-10)20(18,19)14-6-5-11(2)15(16)8-14/h5-6,8,10,12-13H,7,9,16H2,1-4H3
InChIKeyGWHTYIXOEQJXOQ-UHFFFAOYSA-N
XLogP2.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 114597642
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107650396
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
4-(2,3,5-trimethylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 114593322
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107327541
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline (CID 114591958) is 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline is Cc1ccc(S(=O)(=O)N2CC(C)CC(C)C2C)cc1N.
What is the InChIKey of 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
The InChIKey is GWHTYIXOEQJXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-7-12(3)13(4)17(9-10)20(18,19)14-6-5-11(2)15(16)8-14/h5-6,8,10,12-13H,7,9,16H2,1-4H3.
What are the key properties of 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline?
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 114591958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).