3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane

C18H26N2O2S — CID 166467671

IUPAC3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane
SMILESCC1CSC1.COc1ccc2c(c1)c(CCN(C)C)cn2C=O
InChIInChI=1S/C14H18N2O2.C4H8S/c1-15(2)7-6-11-9-16(10-17)14-5-4-12(18-3)8-13(11)14;1-4-2-5-3-4/h4-5,8-10H,6-7H2,1-3H3;4H,2-3H2,1H3
InChIKeyGKOGFGHYBAGTNQ-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.16
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane

3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane (PubChem CID 166467671) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane
PubChem CID166467671
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane
SMILESCC1CSC1.COc1ccc2c(c1)c(CCN(C)C)cn2C=O
InChIInChI=1S/C14H18N2O2.C4H8S/c1-15(2)7-6-11-9-16(10-17)14-5-4-12(18-3)8-13(11)14;1-4-2-5-3-4/h4-5,8-10H,6-7H2,1-3H3;4H,2-3H2,1H3
InChIKeyGKOGFGHYBAGTNQ-UHFFFAOYSA-N
XLogP3.16
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.16
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

bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane
CID 166467583
2-[1-(benzenesulfinyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
CID 134382314
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
thian-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carboxylate
CID 166467685
thietane-3-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931136
[1-(dimethylamino)-2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl] formate
CID 166467618
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene
CID 166467472

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane (CID 166467671) is 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane is CC1CSC1.COc1ccc2c(c1)c(CCN(C)C)cn2C=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane?
The InChIKey is GKOGFGHYBAGTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.C4H8S/c1-15(2)7-6-11-9-16(10-17)14-5-4-12(18-3)8-13(11)14;1-4-2-5-3-4/h4-5,8-10H,6-7H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane?
3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane has a molecular weight of 334.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbaldehyde;3-methylthietane is sourced from PubChem (CID 166467671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).