3-(2-aminoethyl)-1H-indole-2-thiol

C10H12N2S — CID 71397889

IUPAC3-(2-aminoethyl)-1H-indole-2-thiol
SMILESNCCc1c(S)[nH]c2ccccc12
InChIInChI=1S/C10H12N2S/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,12-13H,5-6,11H2
InChIKeyZLEBDUPESLNMDQ-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.96
Rot. Bonds2

About 3-(2-aminoethyl)-1H-indole-2-thiol

3-(2-aminoethyl)-1H-indole-2-thiol (PubChem CID 71397889) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indole-2-thiol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indole-2-thiol
PubChem CID71397889
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3-(2-aminoethyl)-1H-indole-2-thiol
SMILESNCCc1c(S)[nH]c2ccccc12
InChIInChI=1S/C10H12N2S/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,12-13H,5-6,11H2
InChIKeyZLEBDUPESLNMDQ-UHFFFAOYSA-N
XLogP1.96
TPSA41.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-(2-pyridin-2-yl-1H-indol-3-yl)ethanamine
CID 2771640
3-(2-aminoethyl)-1H-indole-2-carboxylic acid;ethane
CID 90797708
2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine
CID 70181806
3-[(4-methylphenyl)methyl]-1H-indole-2-thiol
CID 54671702
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
2-(2-aminoethyl)-1H-indol-3-ol
CID 54537889
ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate
CID 10956302
3-[2-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 84630189
2-[2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethanol
CID 86024266
3-[2-(3,5-dimethylphenyl)-1H-indol-3-yl]propan-1-amine
CID 67663685
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indole-2-thiol?
The IUPAC name of 3-(2-aminoethyl)-1H-indole-2-thiol (CID 71397889) is 3-(2-aminoethyl)-1H-indole-2-thiol.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indole-2-thiol?
The canonical SMILES for 3-(2-aminoethyl)-1H-indole-2-thiol is NCCc1c(S)[nH]c2ccccc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indole-2-thiol?
The InChIKey is ZLEBDUPESLNMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,12-13H,5-6,11H2.
What are the key properties of 3-(2-aminoethyl)-1H-indole-2-thiol?
3-(2-aminoethyl)-1H-indole-2-thiol has a molecular weight of 192.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indole-2-thiol is sourced from PubChem (CID 71397889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).