1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde

C15H18N2O4S — CID 4166421

IUPAC1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde
SMILESCCn1cc(C=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C15H18N2O4S/c1-2-16-10-12(11-18)14-9-13(3-4-15(14)16)22(19,20)17-5-7-21-8-6-17/h3-4,9-11H,2,5-8H2,1H3
InChIKeyICBQIDYORLSAGM-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.49
Rot. Bonds4

About 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde

1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde (PubChem CID 4166421) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde
PubChem CID4166421
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde
SMILESCCn1cc(C=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C15H18N2O4S/c1-2-16-10-12(11-18)14-9-13(3-4-15(14)16)22(19,20)17-5-7-21-8-6-17/h3-4,9-11H,2,5-8H2,1H3
InChIKeyICBQIDYORLSAGM-UHFFFAOYSA-N
XLogP1.49
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-piperidin-1-ylsulfonylindole-3-carbaldehyde
CID 4070689
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 131841686
(3Z)-1-ethyl-3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 6239459
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
1-ethyl-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-5-morpholin-4-ylsulfonylindol-2-one
CID 4979827
2-[5-bromo-3-[(1-methyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)methyl]indol-1-yl]-N,N-diethylacetamide
CID 4979763
1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
CID 5309747
N,N-diethyl-2-[3-[(Z)-(1-ethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)methyl]indol-1-yl]acetamide
CID 6239449
4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
1-(4-ethylphenyl)-3-[(1-methyl-5-morpholin-4-ylsulfonylindol-3-yl)methylideneamino]thiourea
CID 4048513
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde?
The IUPAC name of 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde (CID 4166421) is 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde is CCn1cc(C=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde?
The InChIKey is ICBQIDYORLSAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-2-16-10-12(11-18)14-9-13(3-4-15(14)16)22(19,20)17-5-7-21-8-6-17/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde?
1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde has a molecular weight of 322.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-morpholin-4-ylsulfonylindole-3-carbaldehyde is sourced from PubChem (CID 4166421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).