2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C14H19N3OS — CID 84553422

IUPAC2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESNCCSCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3OS/c15-6-8-19-10-14(18)16-7-5-11-9-17-13-4-2-1-3-12(11)13/h1-4,9,17H,5-8,10,15H2,(H,16,18)
InChIKeyXOEIFOLOKDBFCR-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.52
Rot. Bonds7

About 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 84553422) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID84553422
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESNCCSCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3OS/c15-6-8-19-10-14(18)16-7-5-11-9-17-13-4-2-1-3-12(11)13/h1-4,9,17H,5-8,10,15H2,(H,16,18)
InChIKeyXOEIFOLOKDBFCR-UHFFFAOYSA-N
XLogP1.52
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylpropanoate
CID 9344556
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
CID 142609872
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1H-indole
CID 3348198
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] carbamimidothioate;hydrochloride
CID 57366284
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 84553422) is 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is NCCSCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is XOEIFOLOKDBFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-6-8-19-10-14(18)16-7-5-11-9-17-13-4-2-1-3-12(11)13/h1-4,9,17H,5-8,10,15H2,(H,16,18).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 277.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 84553422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).