N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide

C15H24N2O4S — CID 42936490

IUPACN-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H24N2O4S/c1-12-10-17(11-13(2)21-12)22(18,19)16-9-8-14-6-4-5-7-15(14)20-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyMBGBGJRCAWSIHK-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.18
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide

N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 42936490) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID42936490
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H24N2O4S/c1-12-10-17(11-13(2)21-12)22(18,19)16-9-8-14-6-4-5-7-15(14)20-3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyMBGBGJRCAWSIHK-UHFFFAOYSA-N
XLogP1.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35308806
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120715648
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 55741973
2-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111340250
(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
CID 51725042
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 143860168
(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124670346
(2R,6R)-N-[2-(3-fluorophenoxy)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51946091
(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124628988
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 42936490) is N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide is COc1ccccc1CCNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is MBGBGJRCAWSIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12-10-17(11-13(2)21-12)22(18,19)16-9-8-14-6-4-5-7-15(14)20-3/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide?
N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 42936490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).