3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde

C14H19NO4S — CID 167009225

IUPAC3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde
SMILESCCCC1CN(S(=O)(=O)c2cccc(C=O)c2)CCO1
InChIInChI=1S/C14H19NO4S/c1-2-4-13-10-15(7-8-19-13)20(17,18)14-6-3-5-12(9-14)11-16/h3,5-6,9,11,13H,2,4,7-8,10H2,1H3
InChIKeyXHSPDOHHLQVIRZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.69
Rot. Bonds5

About 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde

3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde (PubChem CID 167009225) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde.

Molecular Properties

Compound Name3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde
PubChem CID167009225
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde
SMILESCCCC1CN(S(=O)(=O)c2cccc(C=O)c2)CCO1
InChIInChI=1S/C14H19NO4S/c1-2-4-13-10-15(7-8-19-13)20(17,18)14-6-3-5-12(9-14)11-16/h3,5-6,9,11,13H,2,4,7-8,10H2,1H3
InChIKeyXHSPDOHHLQVIRZ-UHFFFAOYSA-N
XLogP1.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.69
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

3-(2-ethylmorpholin-4-yl)sulfonylaniline
CID 43562350
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
methyl 2-[4-(3-methylphenyl)sulfonylmorpholin-2-yl]acetate
CID 79764305
3-(2-ethylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43562909
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine
CID 101366739
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
CID 113242547
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
CID 60873972
4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
CID 110116467
3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide
CID 110343642

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde?
The IUPAC name of 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde (CID 167009225) is 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde.
What is the SMILES notation for 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde?
The canonical SMILES for 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde is CCCC1CN(S(=O)(=O)c2cccc(C=O)c2)CCO1.
What is the InChIKey of 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde?
The InChIKey is XHSPDOHHLQVIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-4-13-10-15(7-8-19-13)20(17,18)14-6-3-5-12(9-14)11-16/h3,5-6,9,11,13H,2,4,7-8,10H2,1H3.
What are the key properties of 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde?
3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde has a molecular weight of 297.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde is sourced from PubChem (CID 167009225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).