3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one

C16H16N2O2S — CID 144680030

IUPAC3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one
SMILESO=C1OCCC1NSc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c19-16-15(10-11-20-16)18-21-14-8-6-13(7-9-14)17-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyVBRPKAWHYCGXKJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.34
Rot. Bonds5

About 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one

3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one (PubChem CID 144680030) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one
PubChem CID144680030
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one
SMILESO=C1OCCC1NSc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H16N2O2S/c19-16-15(10-11-20-16)18-21-14-8-6-13(7-9-14)17-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyVBRPKAWHYCGXKJ-UHFFFAOYSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one?
The IUPAC name of 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one (CID 144680030) is 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one.
What is the SMILES notation for 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one?
The canonical SMILES for 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one is O=C1OCCC1NSc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one?
The InChIKey is VBRPKAWHYCGXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-16-15(10-11-20-16)18-21-14-8-6-13(7-9-14)17-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2.
What are the key properties of 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one?
3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-anilinophenyl)sulfanylamino]oxolan-2-one is sourced from PubChem (CID 144680030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).