N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide

C13H20N2O3S — CID 19992428

IUPACN-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-19(16,17)15-12-2-4-13(5-3-12)18-10-11-6-8-14-9-7-11/h2-5,11,14-15H,6-10H2,1H3
InChIKeyIYHIGZTXVQYIBV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.44
Rot. Bonds5

About N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide

N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide (PubChem CID 19992428) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide
PubChem CID19992428
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-19(16,17)15-12-2-4-13(5-3-12)18-10-11-6-8-14-9-7-11/h2-5,11,14-15H,6-10H2,1H3
InChIKeyIYHIGZTXVQYIBV-UHFFFAOYSA-N
XLogP1.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide (CID 19992428) is N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide?
The InChIKey is IYHIGZTXVQYIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-19(16,17)15-12-2-4-13(5-3-12)18-10-11-6-8-14-9-7-11/h2-5,11,14-15H,6-10H2,1H3.
What are the key properties of N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide?
N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 19992428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).