2-(benzylamino)thiolan-3-one

C11H13NOS — CID 20528430

IUPAC2-(benzylamino)thiolan-3-one
SMILESO=C1CCSC1NCc1ccccc1
InChIInChI=1S/C11H13NOS/c13-10-6-7-14-11(10)12-8-9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKeyDCZUHLFONLNVFM-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.81
Rot. Bonds3

About 2-(benzylamino)thiolan-3-one

2-(benzylamino)thiolan-3-one (PubChem CID 20528430) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(benzylamino)thiolan-3-one.

Molecular Properties

Compound Name2-(benzylamino)thiolan-3-one
PubChem CID20528430
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(benzylamino)thiolan-3-one
SMILESO=C1CCSC1NCc1ccccc1
InChIInChI=1S/C11H13NOS/c13-10-6-7-14-11(10)12-8-9-4-2-1-3-5-9/h1-5,11-12H,6-8H2
InChIKeyDCZUHLFONLNVFM-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)thiolan-3-one?
The IUPAC name of 2-(benzylamino)thiolan-3-one (CID 20528430) is 2-(benzylamino)thiolan-3-one.
What is the SMILES notation for 2-(benzylamino)thiolan-3-one?
The canonical SMILES for 2-(benzylamino)thiolan-3-one is O=C1CCSC1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)thiolan-3-one?
The InChIKey is DCZUHLFONLNVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c13-10-6-7-14-11(10)12-8-9-4-2-1-3-5-9/h1-5,11-12H,6-8H2.
What are the key properties of 2-(benzylamino)thiolan-3-one?
2-(benzylamino)thiolan-3-one has a molecular weight of 207.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)thiolan-3-one is sourced from PubChem (CID 20528430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).