3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline

C15H24N2O3S — CID 106505482

IUPAC3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
SMILESCOC1CCCN(S(=O)(=O)c2c(C)c(C)cc(N)c2C)C1
InChIInChI=1S/C15H24N2O3S/c1-10-8-14(16)12(3)15(11(10)2)21(18,19)17-7-5-6-13(9-17)20-4/h8,13H,5-7,9,16H2,1-4H3
InChIKeyMYJLRUPKVHPTCY-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.99
Rot. Bonds3

About 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline

3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline (PubChem CID 106505482) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
PubChem CID106505482
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
SMILESCOC1CCCN(S(=O)(=O)c2c(C)c(C)cc(N)c2C)C1
InChIInChI=1S/C15H24N2O3S/c1-10-8-14(16)12(3)15(11(10)2)21(18,19)17-7-5-6-13(9-17)20-4/h8,13H,5-7,9,16H2,1-4H3
InChIKeyMYJLRUPKVHPTCY-UHFFFAOYSA-N
XLogP1.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.99
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

3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-3-amine
CID 43605392
3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2,4,5-trimethylaniline
CID 106505461
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106504815
2-bromo-5-chloro-3-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955319
2-bromo-4-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955323
1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
CID 102971771
[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 102970866
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43109484
[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
CID 103541381

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline (CID 106505482) is 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline is COC1CCCN(S(=O)(=O)c2c(C)c(C)cc(N)c2C)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline?
The InChIKey is MYJLRUPKVHPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-8-14(16)12(3)15(11(10)2)21(18,19)17-7-5-6-13(9-17)20-4/h8,13H,5-7,9,16H2,1-4H3.
What are the key properties of 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline?
3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline has a molecular weight of 312.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline is sourced from PubChem (CID 106505482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).