3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one

C11H15N3O2S — CID 155111241

IUPAC3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCCSNc1cccc(N2CCOC2=O)n1
InChIInChI=1S/C11H15N3O2S/c1-2-8-17-13-9-4-3-5-10(12-9)14-6-7-16-11(14)15/h3-5H,2,6-8H2,1H3,(H,12,13)
InChIKeyXQWXRDFMDWODEX-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.51
Rot. Bonds5

About 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one

3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 155111241) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID155111241
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCCSNc1cccc(N2CCOC2=O)n1
InChIInChI=1S/C11H15N3O2S/c1-2-8-17-13-9-4-3-5-10(12-9)14-6-7-16-11(14)15/h3-5H,2,6-8H2,1H3,(H,12,13)
InChIKeyXQWXRDFMDWODEX-UHFFFAOYSA-N
XLogP2.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 155111241) is 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one is CCCSNc1cccc(N2CCOC2=O)n1.
What is the InChIKey of 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is XQWXRDFMDWODEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-2-8-17-13-9-4-3-5-10(12-9)14-6-7-16-11(14)15/h3-5H,2,6-8H2,1H3,(H,12,13).
What are the key properties of 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one?
3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 253.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(propylsulfanylamino)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 155111241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).