N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

C14H24ClN3O3S — CID 120715648

IUPACN-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NCCc2ccc(N)cc2)CC(C)O1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-11-9-17(10-12(2)20-11)21(18,19)16-8-7-13-3-5-14(15)6-4-13;/h3-6,11-12,16H,7-10,15H2,1-2H3;1H
InChIKeyKGBDFCWTURHBNY-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.18
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (PubChem CID 120715648) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
PubChem CID120715648
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NCCc2ccc(N)cc2)CC(C)O1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-11-9-17(10-12(2)20-11)21(18,19)16-8-7-13-3-5-14(15)6-4-13;/h3-6,11-12,16H,7-10,15H2,1-2H3;1H
InChIKeyKGBDFCWTURHBNY-UHFFFAOYSA-N
XLogP1.18
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 42936490
N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 64911850
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724059
2,6-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47215824
5-[[(2,6-dimethylmorpholin-4-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993346
(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94607055
(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124670346
N-[2-(4-aminophenyl)ethyl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120715601
N-[(6-methoxynaphthalen-2-yl)methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 17468641
(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
CID 51725042

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (CID 120715648) is N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is CC1CN(S(=O)(=O)NCCc2ccc(N)cc2)CC(C)O1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The InChIKey is KGBDFCWTURHBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-11-9-17(10-12(2)20-11)21(18,19)16-8-7-13-3-5-14(15)6-4-13;/h3-6,11-12,16H,7-10,15H2,1-2H3;1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120715648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).