7-ethyl-1-(3-methylsulfanylpropyl)indole

C14H19NS — CID 116618726

IUPAC7-ethyl-1-(3-methylsulfanylpropyl)indole
SMILESCCc1cccc2ccn(CCCSC)c12
InChIInChI=1S/C14H19NS/c1-3-12-6-4-7-13-8-10-15(14(12)13)9-5-11-16-2/h4,6-8,10H,3,5,9,11H2,1-2H3
InChIKeyFJZONFXKWGOFMY-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.96
Rot. Bonds5

About 7-ethyl-1-(3-methylsulfanylpropyl)indole

7-ethyl-1-(3-methylsulfanylpropyl)indole (PubChem CID 116618726) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 7-ethyl-1-(3-methylsulfanylpropyl)indole.

Molecular Properties

Compound Name7-ethyl-1-(3-methylsulfanylpropyl)indole
PubChem CID116618726
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name7-ethyl-1-(3-methylsulfanylpropyl)indole
SMILESCCc1cccc2ccn(CCCSC)c12
InChIInChI=1S/C14H19NS/c1-3-12-6-4-7-13-8-10-15(14(12)13)9-5-11-16-2/h4,6-8,10H,3,5,9,11H2,1-2H3
InChIKeyFJZONFXKWGOFMY-UHFFFAOYSA-N
XLogP3.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-methylsulfanylethyl)indol-7-yl]methanol
CID 102912009
[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine
CID 113474456
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
1-(2-tert-butylsulfonylethyl)-7-ethylindole
CID 106731619
7-ethyl-1-[3-(oxolan-2-yl)propyl]indole
CID 116618876
7-ethyl-1-prop-2-ynylindole
CID 116618856
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(3-methylsulfanylpropyl)indole?
The IUPAC name of 7-ethyl-1-(3-methylsulfanylpropyl)indole (CID 116618726) is 7-ethyl-1-(3-methylsulfanylpropyl)indole.
What is the SMILES notation for 7-ethyl-1-(3-methylsulfanylpropyl)indole?
The canonical SMILES for 7-ethyl-1-(3-methylsulfanylpropyl)indole is CCc1cccc2ccn(CCCSC)c12.
What is the InChIKey of 7-ethyl-1-(3-methylsulfanylpropyl)indole?
The InChIKey is FJZONFXKWGOFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-12-6-4-7-13-8-10-15(14(12)13)9-5-11-16-2/h4,6-8,10H,3,5,9,11H2,1-2H3.
What are the key properties of 7-ethyl-1-(3-methylsulfanylpropyl)indole?
7-ethyl-1-(3-methylsulfanylpropyl)indole has a molecular weight of 233.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(3-methylsulfanylpropyl)indole is sourced from PubChem (CID 116618726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).