N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

C14H22N2O3S — CID 110710274

IUPACN-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC1CN(C)CCO1
InChIInChI=1S/C14H22N2O3S/c1-12-5-3-4-6-13(12)11-20(17,18)15-9-14-10-16(2)7-8-19-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyQRRGOAFJTWCXFU-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.75
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide

N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110710274) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110710274
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC1CN(C)CCO1
InChIInChI=1S/C14H22N2O3S/c1-12-5-3-4-6-13(12)11-20(17,18)15-9-14-10-16(2)7-8-19-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyQRRGOAFJTWCXFU-UHFFFAOYSA-N
XLogP0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 79079333
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
CID 110710282
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749259
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110315671
1-(2-methylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
CID 110294188
4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 106070548
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79079568
1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413827
1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887899
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide (CID 110710274) is N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCC1CN(C)CCO1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is QRRGOAFJTWCXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12-5-3-4-6-13(12)11-20(17,18)15-9-14-10-16(2)7-8-19-14/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide?
N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110710274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).