N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide

C15H22N2O5S — CID 21367301

IUPACN-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide
SMILESCN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S/c1-16(23(2,19)20)11-13-3-5-14(6-4-13)22-12-15(18)17-7-9-21-10-8-17/h3-6H,7-12H2,1-2H3
InChIKeyUAJBUFYGMPCGDK-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.32
Rot. Bonds6

About N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide

N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide (PubChem CID 21367301) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide
PubChem CID21367301
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide
SMILESCN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S/c1-16(23(2,19)20)11-13-3-5-14(6-4-13)22-12-15(18)17-7-9-21-10-8-17/h3-6H,7-12H2,1-2H3
InChIKeyUAJBUFYGMPCGDK-UHFFFAOYSA-N
XLogP0.32
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide (CID 21367301) is N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide is CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide?
The InChIKey is UAJBUFYGMPCGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-16(23(2,19)20)11-13-3-5-14(6-4-13)22-12-15(18)17-7-9-21-10-8-17/h3-6H,7-12H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide?
N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 21367301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).