2-naphthalen-1-ylsulfanylacetamide

C12H11NOS — CID 4059329

IUPAC2-naphthalen-1-ylsulfanylacetamide
SMILESNC(=O)CSc1cccc2ccccc12
InChIInChI=1S/C12H11NOS/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,13,14)
InChIKeyRUTJEBMHOBGDQX-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.42
Rot. Bonds3

About 2-naphthalen-1-ylsulfanylacetamide

2-naphthalen-1-ylsulfanylacetamide (PubChem CID 4059329) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfanylacetamide
PubChem CID4059329
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-naphthalen-1-ylsulfanylacetamide
SMILESNC(=O)CSc1cccc2ccccc12
InChIInChI=1S/C12H11NOS/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,13,14)
InChIKeyRUTJEBMHOBGDQX-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of 2-naphthalen-1-ylsulfanylacetamide (CID 4059329) is 2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for 2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for 2-naphthalen-1-ylsulfanylacetamide is NC(=O)CSc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is RUTJEBMHOBGDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,13,14).
What are the key properties of 2-naphthalen-1-ylsulfanylacetamide?
2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 217.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 4059329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).