2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine

C11H14N2S — CID 2049520

IUPAC2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine
SMILESCc1[nH]c2ccccc2c1SCCN
InChIInChI=1S/C11H14N2S/c1-8-11(14-7-6-12)9-4-2-3-5-10(9)13-8/h2-5,13H,6-7,12H2,1H3
InChIKeyOPGILXBGYTVCII-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.53
Rot. Bonds3

About 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine

2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine (PubChem CID 2049520) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine
PubChem CID2049520
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine
SMILESCc1[nH]c2ccccc2c1SCCN
InChIInChI=1S/C11H14N2S/c1-8-11(14-7-6-12)9-4-2-3-5-10(9)13-8/h2-5,13H,6-7,12H2,1H3
InChIKeyOPGILXBGYTVCII-UHFFFAOYSA-N
XLogP2.53
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine (CID 2049520) is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine is Cc1[nH]c2ccccc2c1SCCN.
What is the InChIKey of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine?
The InChIKey is OPGILXBGYTVCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-11(14-7-6-12)9-4-2-3-5-10(9)13-8/h2-5,13H,6-7,12H2,1H3.
What are the key properties of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine?
2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine has a molecular weight of 206.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine is sourced from PubChem (CID 2049520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).