N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide

C14H22N2O3S — CID 110710282

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)CCc2ccccc2)C1
InChIInChI=1S/C14H22N2O3S/c1-16-8-9-19-14(12-16)11-15-20(17,18)10-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyKMGYYWVYPYQZLN-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.48
Rot. Bonds6

About N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide

N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide (PubChem CID 110710282) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
PubChem CID110710282
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)CCc2ccccc2)C1
InChIInChI=1S/C14H22N2O3S/c1-16-8-9-19-14(12-16)11-15-20(17,18)10-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeyKMGYYWVYPYQZLN-UHFFFAOYSA-N
XLogP0.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 79079333
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
1-(4-methylmorpholin-2-yl)-N-phenylmethoxymethanamine
CID 79172103
4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 106070548
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine
CID 111134903
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide
CID 33487644

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide (CID 110710282) is N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide is CN1CCOC(CNS(=O)(=O)CCc2ccccc2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide?
The InChIKey is KMGYYWVYPYQZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16-8-9-19-14(12-16)11-15-20(17,18)10-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide?
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.48, 6 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]-2-phenylethanesulfonamide is sourced from PubChem (CID 110710282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).