N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide

C13H18N2O4S — CID 893675

IUPACN-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-14(20(2,17)18)12-5-3-11(4-6-12)13(16)15-7-9-19-10-8-15/h3-6H,7-10H2,1-2H3
InChIKeyUWTBRCGWKOPAAY-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.55
Rot. Bonds3

About N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide

N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide (PubChem CID 893675) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide
PubChem CID893675
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-14(20(2,17)18)12-5-3-11(4-6-12)13(16)15-7-9-19-10-8-15/h3-6H,7-10H2,1-2H3
InChIKeyUWTBRCGWKOPAAY-UHFFFAOYSA-N
XLogP0.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide (CID 893675) is N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide is CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The InChIKey is UWTBRCGWKOPAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-14(20(2,17)18)12-5-3-11(4-6-12)13(16)15-7-9-19-10-8-15/h3-6H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 893675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).