3-(ethylsulfanylmethyl)-1-methylindol-6-amine

C12H16N2S — CID 117178607

IUPAC3-(ethylsulfanylmethyl)-1-methylindol-6-amine
SMILESCCSCc1cn(C)c2cc(N)ccc12
InChIInChI=1S/C12H16N2S/c1-3-15-8-9-7-14(2)12-6-10(13)4-5-11(9)12/h4-7H,3,8,13H2,1-2H3
InChIKeyODHPLNCZWCVZDZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.01
Rot. Bonds3

About 3-(ethylsulfanylmethyl)-1-methylindol-6-amine

3-(ethylsulfanylmethyl)-1-methylindol-6-amine (PubChem CID 117178607) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-1-methylindol-6-amine.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-1-methylindol-6-amine
PubChem CID117178607
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name3-(ethylsulfanylmethyl)-1-methylindol-6-amine
SMILESCCSCc1cn(C)c2cc(N)ccc12
InChIInChI=1S/C12H16N2S/c1-3-15-8-9-7-14(2)12-6-10(13)4-5-11(9)12/h4-7H,3,8,13H2,1-2H3
InChIKeyODHPLNCZWCVZDZ-UHFFFAOYSA-N
XLogP3.01
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(fluoromethyl)-1-methylindol-6-amine
CID 84656439
(6-amino-1-methylindol-3-yl)methanethiol
CID 117178647
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine
CID 57421481
1-methyl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178398
6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
CID 117178628
6-amino-1-methylindole-3-carbonitrile
CID 59335124
3-(ethylsulfanylmethyl)-7-fluoro-1-methylindole
CID 117182069
3-(ethylsulfanylmethyl)-1-methylindol-4-ol
CID 117171494
1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
CID 96900180
7-amino-4-ethyl-2-methylisoquinolin-1-one
CID 115063556
6-bromo-3-ethyl-1-methylindole
CID 115042453

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-1-methylindol-6-amine?
The IUPAC name of 3-(ethylsulfanylmethyl)-1-methylindol-6-amine (CID 117178607) is 3-(ethylsulfanylmethyl)-1-methylindol-6-amine.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-1-methylindol-6-amine?
The canonical SMILES for 3-(ethylsulfanylmethyl)-1-methylindol-6-amine is CCSCc1cn(C)c2cc(N)ccc12.
What is the InChIKey of 3-(ethylsulfanylmethyl)-1-methylindol-6-amine?
The InChIKey is ODHPLNCZWCVZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-3-15-8-9-7-14(2)12-6-10(13)4-5-11(9)12/h4-7H,3,8,13H2,1-2H3.
What are the key properties of 3-(ethylsulfanylmethyl)-1-methylindol-6-amine?
3-(ethylsulfanylmethyl)-1-methylindol-6-amine has a molecular weight of 220.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-1-methylindol-6-amine is sourced from PubChem (CID 117178607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).