2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline

C13H20N2O3S — CID 16812319

IUPAC2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline
SMILESCNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C13H20N2O3S/c1-14-12-10-11(6-7-13(12)18-2)19(16,17)15-8-4-3-5-9-15/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyYDPSUBPZWFPWMQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.91
Rot. Bonds4

About 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline

2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline (PubChem CID 16812319) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline
PubChem CID16812319
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline
SMILESCNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC
InChIInChI=1S/C13H20N2O3S/c1-14-12-10-11(6-7-13(12)18-2)19(16,17)15-8-4-3-5-9-15/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyYDPSUBPZWFPWMQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline?
The IUPAC name of 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline (CID 16812319) is 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline is CNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline?
The InChIKey is YDPSUBPZWFPWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-14-12-10-11(6-7-13(12)18-2)19(16,17)15-8-4-3-5-9-15/h6-7,10,14H,3-5,8-9H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline?
2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline has a molecular weight of 284.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 16812319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).