ethyl 2-(phenylsulfanylamino)acetate

C10H13NO2S — CID 10910831

IUPACethyl 2-(phenylsulfanylamino)acetate
SMILESCCOC(=O)CNSc1ccccc1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-11-14-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKeyVMLUYZDVAAEFCE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.85
Rot. Bonds5

About ethyl 2-(phenylsulfanylamino)acetate

ethyl 2-(phenylsulfanylamino)acetate (PubChem CID 10910831) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl 2-(phenylsulfanylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(phenylsulfanylamino)acetate
PubChem CID10910831
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 2-(phenylsulfanylamino)acetate
SMILESCCOC(=O)CNSc1ccccc1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-11-14-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKeyVMLUYZDVAAEFCE-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenylsulfanylamino)acetate?
The IUPAC name of ethyl 2-(phenylsulfanylamino)acetate (CID 10910831) is ethyl 2-(phenylsulfanylamino)acetate.
What is the SMILES notation for ethyl 2-(phenylsulfanylamino)acetate?
The canonical SMILES for ethyl 2-(phenylsulfanylamino)acetate is CCOC(=O)CNSc1ccccc1.
What is the InChIKey of ethyl 2-(phenylsulfanylamino)acetate?
The InChIKey is VMLUYZDVAAEFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-13-10(12)8-11-14-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3.
What are the key properties of ethyl 2-(phenylsulfanylamino)acetate?
ethyl 2-(phenylsulfanylamino)acetate has a molecular weight of 211.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenylsulfanylamino)acetate is sourced from PubChem (CID 10910831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).