2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline

C13H20N2O3S — CID 62143268

IUPAC2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline
SMILESCNc1ccccc1S(=O)(=O)N1CCC(OC)CC1
InChIInChI=1S/C13H20N2O3S/c1-14-12-5-3-4-6-13(12)19(16,17)15-9-7-11(18-2)8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKeyHGZDXYNQQUMIPT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline

2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline (PubChem CID 62143268) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline
PubChem CID62143268
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline
SMILESCNc1ccccc1S(=O)(=O)N1CCC(OC)CC1
InChIInChI=1S/C13H20N2O3S/c1-14-12-5-3-4-6-13(12)19(16,17)15-9-7-11(18-2)8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKeyHGZDXYNQQUMIPT-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline (CID 62143268) is 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline is CNc1ccccc1S(=O)(=O)N1CCC(OC)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline?
The InChIKey is HGZDXYNQQUMIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-14-12-5-3-4-6-13(12)19(16,17)15-9-7-11(18-2)8-10-15/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline?
2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline has a molecular weight of 284.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)sulfonyl-N-methylaniline is sourced from PubChem (CID 62143268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).