N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide

C13H18N2O4S — CID 47174328

IUPACN-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCC1COCCN1C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-10-9-19-8-7-15(10)13(16)11-3-5-12(6-4-11)14-20(2,17)18/h3-6,10,14H,7-9H2,1-2H3
InChIKeyNMAYGJLKNFETHV-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.92
Rot. Bonds3

About N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide (PubChem CID 47174328) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
PubChem CID47174328
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCC1COCCN1C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-10-9-19-8-7-15(10)13(16)11-3-5-12(6-4-11)14-20(2,17)18/h3-6,10,14H,7-9H2,1-2H3
InChIKeyNMAYGJLKNFETHV-UHFFFAOYSA-N
XLogP0.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide (CID 47174328) is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide is CC1COCCN1C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide?
The InChIKey is NMAYGJLKNFETHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-9-19-8-7-15(10)13(16)11-3-5-12(6-4-11)14-20(2,17)18/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide?
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 47174328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).