2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline

C15H24N2O2S — CID 63162352

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
SMILESCCC1(C)CCN(S(=O)(=O)c2ccccc2NC)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-15(2)9-11-17(12-10-15)20(18,19)14-8-6-5-7-13(14)16-3/h5-8,16H,4,9-12H2,1-3H3
InChIKeyIVLBRHQJWNURTR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline

2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline (PubChem CID 63162352) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
PubChem CID63162352
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
SMILESCCC1(C)CCN(S(=O)(=O)c2ccccc2NC)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-15(2)9-11-17(12-10-15)20(18,19)14-8-6-5-7-13(14)16-3/h5-8,16H,4,9-12H2,1-3H3
InChIKeyIVLBRHQJWNURTR-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline (CID 63162352) is 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline is CCC1(C)CCN(S(=O)(=O)c2ccccc2NC)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline?
The InChIKey is IVLBRHQJWNURTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-15(2)9-11-17(12-10-15)20(18,19)14-8-6-5-7-13(14)16-3/h5-8,16H,4,9-12H2,1-3H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline?
2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline is sourced from PubChem (CID 63162352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).