5-methoxy-1-(2-methylsulfanylethyl)indole

C12H15NOS — CID 116619344

IUPAC5-methoxy-1-(2-methylsulfanylethyl)indole
SMILESCOc1ccc2c(ccn2CCSC)c1
InChIInChI=1S/C12H15NOS/c1-14-11-3-4-12-10(9-11)5-6-13(12)7-8-15-2/h3-6,9H,7-8H2,1-2H3
InChIKeyRFDCSFMJIQBMFD-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.01
Rot. Bonds4

About 5-methoxy-1-(2-methylsulfanylethyl)indole

5-methoxy-1-(2-methylsulfanylethyl)indole (PubChem CID 116619344) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylsulfanylethyl)indole.

Molecular Properties

Compound Name5-methoxy-1-(2-methylsulfanylethyl)indole
PubChem CID116619344
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name5-methoxy-1-(2-methylsulfanylethyl)indole
SMILESCOc1ccc2c(ccn2CCSC)c1
InChIInChI=1S/C12H15NOS/c1-14-11-3-4-12-10(9-11)5-6-13(12)7-8-15-2/h3-6,9H,7-8H2,1-2H3
InChIKeyRFDCSFMJIQBMFD-UHFFFAOYSA-N
XLogP3.01
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-iodopentyl)-5-methoxyindole
CID 141021512
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
5-methoxy-1-methylindole
CID 819864
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
5-methoxy-1-prop-2-ynylindole
CID 45091362
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
5-methoxy-1-(2-methylbutyl)indole
CID 116619323

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylsulfanylethyl)indole?
The IUPAC name of 5-methoxy-1-(2-methylsulfanylethyl)indole (CID 116619344) is 5-methoxy-1-(2-methylsulfanylethyl)indole.
What is the SMILES notation for 5-methoxy-1-(2-methylsulfanylethyl)indole?
The canonical SMILES for 5-methoxy-1-(2-methylsulfanylethyl)indole is COc1ccc2c(ccn2CCSC)c1.
What is the InChIKey of 5-methoxy-1-(2-methylsulfanylethyl)indole?
The InChIKey is RFDCSFMJIQBMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-14-11-3-4-12-10(9-11)5-6-13(12)7-8-15-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 5-methoxy-1-(2-methylsulfanylethyl)indole?
5-methoxy-1-(2-methylsulfanylethyl)indole has a molecular weight of 221.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylsulfanylethyl)indole is sourced from PubChem (CID 116619344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).