2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline

C15H24N2O3S — CID 61219942

IUPAC2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
SMILESCCOC1CCN(S(=O)(=O)c2c(N)ccc(C)c2C)CC1
InChIInChI=1S/C15H24N2O3S/c1-4-20-13-7-9-17(10-8-13)21(18,19)15-12(3)11(2)5-6-14(15)16/h5-6,13H,4,7-10,16H2,1-3H3
InChIKeyUZFBLBWQWGEGPD-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.08
Rot. Bonds4

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

2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline (PubChem CID 61219942) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
PubChem CID61219942
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
SMILESCCOC1CCN(S(=O)(=O)c2c(N)ccc(C)c2C)CC1
InChIInChI=1S/C15H24N2O3S/c1-4-20-13-7-9-17(10-8-13)21(18,19)15-12(3)11(2)5-6-14(15)16/h5-6,13H,4,7-10,16H2,1-3H3
InChIKeyUZFBLBWQWGEGPD-UHFFFAOYSA-N
XLogP2.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine
CID 107326940
3-(4-ethoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79885293
4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
3,5-dibromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219950
4-bromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61220131
5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline
CID 114379262
1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-ol
CID 43257227
[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258860
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 61219951
1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217736

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline (CID 61219942) is 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline is CCOC1CCN(S(=O)(=O)c2c(N)ccc(C)c2C)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline?
The InChIKey is UZFBLBWQWGEGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-20-13-7-9-17(10-8-13)21(18,19)15-12(3)11(2)5-6-14(15)16/h5-6,13H,4,7-10,16H2,1-3H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline?
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline has a molecular weight of 312.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline is sourced from PubChem (CID 61219942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).