5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one

C14H20N2O2S — CID 66349647

IUPAC5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCC(C)NCc1cccc(SCC2CNC(=O)O2)c1
InChIInChI=1S/C14H20N2O2S/c1-10(2)15-7-11-4-3-5-13(6-11)19-9-12-8-16-14(17)18-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyYKTIIQORYOITKM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.39
Rot. Bonds6

About 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one

5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 66349647) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID66349647
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCC(C)NCc1cccc(SCC2CNC(=O)O2)c1
InChIInChI=1S/C14H20N2O2S/c1-10(2)15-7-11-4-3-5-13(6-11)19-9-12-8-16-14(17)18-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyYKTIIQORYOITKM-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one (CID 66349647) is 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one is CC(C)NCc1cccc(SCC2CNC(=O)O2)c1.
What is the InChIKey of 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is YKTIIQORYOITKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(2)15-7-11-4-3-5-13(6-11)19-9-12-8-16-14(17)18-12/h3-6,10,12,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one?
5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 280.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66349647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).