3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one

C14H18N2O2S — CID 107131674

IUPAC3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCC2CCSC2)c1
InChIInChI=1S/C14H18N2O2S/c17-14-16(5-6-18-14)13-3-1-2-12(8-13)15-9-11-4-7-19-10-11/h1-3,8,11,15H,4-7,9-10H2
InChIKeyYXGJGMPBFBITSC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.81
Rot. Bonds4

About 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one

3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one (PubChem CID 107131674) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
PubChem CID107131674
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc(NCC2CCSC2)c1
InChIInChI=1S/C14H18N2O2S/c17-14-16(5-6-18-14)13-3-1-2-12(8-13)15-9-11-4-7-19-10-11/h1-3,8,11,15H,4-7,9-10H2
InChIKeyYXGJGMPBFBITSC-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one (CID 107131674) is 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc(NCC2CCSC2)c1.
What is the InChIKey of 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is YXGJGMPBFBITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-14-16(5-6-18-14)13-3-1-2-12(8-13)15-9-11-4-7-19-10-11/h1-3,8,11,15H,4-7,9-10H2.
What are the key properties of 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one?
3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 107131674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).