2-(1H-indol-3-ylsulfanyl)ethanamine

C10H12N2S — CID 2049518

IUPAC2-(1H-indol-3-ylsulfanyl)ethanamine
SMILESNCCSc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2S/c11-5-6-13-10-7-12-9-4-2-1-3-8(9)10/h1-4,7,12H,5-6,11H2
InChIKeyRZCPVVSHZUUUCW-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.22
Rot. Bonds3

About 2-(1H-indol-3-ylsulfanyl)ethanamine

2-(1H-indol-3-ylsulfanyl)ethanamine (PubChem CID 2049518) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-(1H-indol-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-ylsulfanyl)ethanamine
PubChem CID2049518
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-(1H-indol-3-ylsulfanyl)ethanamine
SMILESNCCSc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2S/c11-5-6-13-10-7-12-9-4-2-1-3-8(9)10/h1-4,7,12H,5-6,11H2
InChIKeyRZCPVVSHZUUUCW-UHFFFAOYSA-N
XLogP2.22
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylsulfanyl)ethanamine?
The IUPAC name of 2-(1H-indol-3-ylsulfanyl)ethanamine (CID 2049518) is 2-(1H-indol-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(1H-indol-3-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(1H-indol-3-ylsulfanyl)ethanamine is NCCSc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylsulfanyl)ethanamine?
The InChIKey is RZCPVVSHZUUUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c11-5-6-13-10-7-12-9-4-2-1-3-8(9)10/h1-4,7,12H,5-6,11H2.
What are the key properties of 2-(1H-indol-3-ylsulfanyl)ethanamine?
2-(1H-indol-3-ylsulfanyl)ethanamine has a molecular weight of 192.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 2049518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).