2-(1-propylindol-3-yl)sulfanylacetamide

C13H16N2OS — CID 2046611

IUPAC2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(N)=O)c2ccccc21
InChIInChI=1S/C13H16N2OS/c1-2-7-15-8-12(17-9-13(14)16)10-5-3-4-6-11(10)15/h3-6,8H,2,7,9H2,1H3,(H2,14,16)
InChIKeyUUXKYDSYQXZFLA-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.63
Rot. Bonds5

About 2-(1-propylindol-3-yl)sulfanylacetamide

2-(1-propylindol-3-yl)sulfanylacetamide (PubChem CID 2046611) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1-propylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-propylindol-3-yl)sulfanylacetamide
PubChem CID2046611
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(N)=O)c2ccccc21
InChIInChI=1S/C13H16N2OS/c1-2-7-15-8-12(17-9-13(14)16)10-5-3-4-6-11(10)15/h3-6,8H,2,7,9H2,1H3,(H2,14,16)
InChIKeyUUXKYDSYQXZFLA-UHFFFAOYSA-N
XLogP2.63
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylindol-3-yl)sulfanylacetamide?
The IUPAC name of 2-(1-propylindol-3-yl)sulfanylacetamide (CID 2046611) is 2-(1-propylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-propylindol-3-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-propylindol-3-yl)sulfanylacetamide is CCCn1cc(SCC(N)=O)c2ccccc21.
What is the InChIKey of 2-(1-propylindol-3-yl)sulfanylacetamide?
The InChIKey is UUXKYDSYQXZFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-7-15-8-12(17-9-13(14)16)10-5-3-4-6-11(10)15/h3-6,8H,2,7,9H2,1H3,(H2,14,16).
What are the key properties of 2-(1-propylindol-3-yl)sulfanylacetamide?
2-(1-propylindol-3-yl)sulfanylacetamide has a molecular weight of 248.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 2046611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).