2-benzylsulfanyl-2-methoxyacetamide

C10H13NO2S — CID 70537218

IUPAC2-benzylsulfanyl-2-methoxyacetamide
SMILESCOC(SCc1ccccc1)C(N)=O
InChIInChI=1S/C10H13NO2S/c1-13-10(9(11)12)14-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H2,11,12)
InChIKeyWNZHBCHXSWBGQM-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.38
Rot. Bonds5

About 2-benzylsulfanyl-2-methoxyacetamide

2-benzylsulfanyl-2-methoxyacetamide (PubChem CID 70537218) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-benzylsulfanyl-2-methoxyacetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-2-methoxyacetamide
PubChem CID70537218
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-benzylsulfanyl-2-methoxyacetamide
SMILESCOC(SCc1ccccc1)C(N)=O
InChIInChI=1S/C10H13NO2S/c1-13-10(9(11)12)14-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H2,11,12)
InChIKeyWNZHBCHXSWBGQM-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-2-methoxyacetamide?
The IUPAC name of 2-benzylsulfanyl-2-methoxyacetamide (CID 70537218) is 2-benzylsulfanyl-2-methoxyacetamide.
What is the SMILES notation for 2-benzylsulfanyl-2-methoxyacetamide?
The canonical SMILES for 2-benzylsulfanyl-2-methoxyacetamide is COC(SCc1ccccc1)C(N)=O.
What is the InChIKey of 2-benzylsulfanyl-2-methoxyacetamide?
The InChIKey is WNZHBCHXSWBGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10(9(11)12)14-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H2,11,12).
What are the key properties of 2-benzylsulfanyl-2-methoxyacetamide?
2-benzylsulfanyl-2-methoxyacetamide has a molecular weight of 211.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-2-methoxyacetamide is sourced from PubChem (CID 70537218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).