4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde

C13H17NO4S — CID 142866059

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde
SMILESCC1CN(S(=O)(=O)c2ccc(C=O)cc2)CC(C)O1
InChIInChI=1S/C13H17NO4S/c1-10-7-14(8-11(2)18-10)19(16,17)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyGZGHFFPTXVUCPP-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.30
Rot. Bonds3

About 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde

4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde (PubChem CID 142866059) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde
PubChem CID142866059
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde
SMILESCC1CN(S(=O)(=O)c2ccc(C=O)cc2)CC(C)O1
InChIInChI=1S/C13H17NO4S/c1-10-7-14(8-11(2)18-10)19(16,17)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyGZGHFFPTXVUCPP-UHFFFAOYSA-N
XLogP1.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-Dimethylmorpholin-4-yl)sulfonyl]benzoic acid
CID 2770973
1-[4-(4-Morpholinylsulfonyl)phenyl]ethanone
CID 746765
4-(Morpholine-4-carbonyl)-N,N-dipropyl-benzenesulfonamide
CID 1070318
1-(4-Acetyl-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
CID 1168144
3-acetyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 16245733
N,N-dimethyl-4-(4-morpholinylcarbonyl)benzenesulfonamide
CID 800700
N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 2476157
2,6-Dimethyl-4-[(4-methylphenyl)sulfonyl]morpholine
CID 2832225
2-Bromo-1-(4-(morpholine-4-sulfonyl)phenyl)ethan-1-one
CID 2534976
4-(Piperidine-1-sulfonyl)benzaldehyde
CID 21051090
4-((4-Methylpiperazin-1-yl)sulfonyl)benzaldehyde
CID 59846222
4-(4-Acetylpiperazin-1-yl)sulfonylbenzaldehyde
CID 154700560

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde (CID 142866059) is 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde is CC1CN(S(=O)(=O)c2ccc(C=O)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde?
The InChIKey is GZGHFFPTXVUCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-10-7-14(8-11(2)18-10)19(16,17)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde?
4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde has a molecular weight of 283.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzaldehyde is sourced from PubChem (CID 142866059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).