1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine

C12H16N2S — CID 116830290

IUPAC1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H16N2S/c1-8-12(10(13)7-15-2)9-5-3-4-6-11(9)14-8/h3-6,10,14H,7,13H2,1-2H3
InChIKeyKXAYAOAOLDGPQG-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine

1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine (PubChem CID 116830290) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
PubChem CID116830290
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H16N2S/c1-8-12(10(13)7-15-2)9-5-3-4-6-11(9)14-8/h3-6,10,14H,7,13H2,1-2H3
InChIKeyKXAYAOAOLDGPQG-UHFFFAOYSA-N
XLogP2.84
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine (CID 116830290) is 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine is CSCC(N)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine?
The InChIKey is KXAYAOAOLDGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8-12(10(13)7-15-2)9-5-3-4-6-11(9)14-8/h3-6,10,14H,7,13H2,1-2H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine?
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine has a molecular weight of 220.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine is sourced from PubChem (CID 116830290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).