2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol

C14H20N2S — CID 115224373

IUPAC2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
SMILESCc1[nH]c2ccccc2c1CCN(C)CCS
InChIInChI=1S/C14H20N2S/c1-11-12(7-8-16(2)9-10-17)13-5-3-4-6-14(13)15-11/h3-6,15,17H,7-10H2,1-2H3
InChIKeyQNEULRYUPLVOMV-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.88
Rot. Bonds5

About 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol

2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol (PubChem CID 115224373) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol.

Molecular Properties

Compound Name2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
PubChem CID115224373
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
SMILESCc1[nH]c2ccccc2c1CCN(C)CCS
InChIInChI=1S/C14H20N2S/c1-11-12(7-8-16(2)9-10-17)13-5-3-4-6-14(13)15-11/h3-6,15,17H,7-10H2,1-2H3
InChIKeyQNEULRYUPLVOMV-UHFFFAOYSA-N
XLogP2.88
TPSA19.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
CID 115231231
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butanenitrile
CID 115232046
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
CID 12575442
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
CID 115263193
3-[2-(dimethylamino)ethyl]-1H-indol-2-amine
CID 54239513
3-ethyl-2-methyl-1H-indole;propane
CID 156727003

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol?
The IUPAC name of 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol (CID 115224373) is 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol.
What is the SMILES notation for 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol?
The canonical SMILES for 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol is Cc1[nH]c2ccccc2c1CCN(C)CCS.
What is the InChIKey of 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol?
The InChIKey is QNEULRYUPLVOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-11-12(7-8-16(2)9-10-17)13-5-3-4-6-14(13)15-11/h3-6,15,17H,7-10H2,1-2H3.
What are the key properties of 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol?
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol has a molecular weight of 248.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol is sourced from PubChem (CID 115224373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).