2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide

C12H24N2O4S — CID 113258257

IUPAC2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-10(2)9-17-6-5-13-19(15,16)14-7-11(3)18-12(4)8-14/h11-13H,1,5-9H2,2-4H3
InChIKeyZPHDCFWDDRODRA-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.52
Rot. Bonds7

About 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide

2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide (PubChem CID 113258257) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
PubChem CID113258257
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-10(2)9-17-6-5-13-19(15,16)14-7-11(3)18-12(4)8-14/h11-13H,1,5-9H2,2-4H3
InChIKeyZPHDCFWDDRODRA-UHFFFAOYSA-N
XLogP0.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 95280186
N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 64911850
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine
CID 114386504
(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94607055
2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid
CID 114465485
(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51946091
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-N-propylacetamide
CID 47141080
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide
CID 114466800
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 42936490

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide (CID 113258257) is 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide is C=C(C)COCCNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide?
The InChIKey is ZPHDCFWDDRODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)9-17-6-5-13-19(15,16)14-7-11(3)18-12(4)8-14/h11-13H,1,5-9H2,2-4H3.
What are the key properties of 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide?
2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 113258257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).