N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide

C13H18N2O4S — CID 7636204

IUPACN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1N1CCCCC1=O
InChIInChI=1S/C13H18N2O4S/c1-19-12-9-10(14-20(2,17)18)6-7-11(12)15-8-4-3-5-13(15)16/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyWDHAAPMYYYXVLF-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.58
Rot. Bonds4

About N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide

N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide (PubChem CID 7636204) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
PubChem CID7636204
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1N1CCCCC1=O
InChIInChI=1S/C13H18N2O4S/c1-19-12-9-10(14-20(2,17)18)6-7-11(12)15-8-4-3-5-13(15)16/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyWDHAAPMYYYXVLF-UHFFFAOYSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide (CID 7636204) is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1N1CCCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide?
The InChIKey is WDHAAPMYYYXVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-12-9-10(14-20(2,17)18)6-7-11(12)15-8-4-3-5-13(15)16/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide?
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 7636204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).