2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline

C15H24N2O2S — CID 43257892

IUPAC2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline
SMILESCc1ccc(N)c(S(=O)(=O)N2C(C)CCCC2C)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-8-9-14(16)15(13(10)4)20(18,19)17-11(2)6-5-7-12(17)3/h8-9,11-12H,5-7,16H2,1-4H3
InChIKeyQKQFTPIXBYDHLW-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.84
Rot. Bonds2

About 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline

2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline (PubChem CID 43257892) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline
PubChem CID43257892
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline
SMILESCc1ccc(N)c(S(=O)(=O)N2C(C)CCCC2C)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-8-9-14(16)15(13(10)4)20(18,19)17-11(2)6-5-7-12(17)3/h8-9,11-12H,5-7,16H2,1-4H3
InChIKeyQKQFTPIXBYDHLW-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
CID 43093346
[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61410837
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 2920428
methyl 1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43473905
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 61219942
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine
CID 104968731
2-bromo-5-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 115328626
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-5-nitroaniline
CID 104968713
3-(2,6-dimethylpiperidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 43105856

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline (CID 43257892) is 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline is Cc1ccc(N)c(S(=O)(=O)N2C(C)CCCC2C)c1C.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline?
The InChIKey is QKQFTPIXBYDHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-8-9-14(16)15(13(10)4)20(18,19)17-11(2)6-5-7-12(17)3/h8-9,11-12H,5-7,16H2,1-4H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline?
2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)sulfonyl-3,4-dimethylaniline is sourced from PubChem (CID 43257892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).