(5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane

C22H31N3O3S — CID 158369284

IUPAC(5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane
SMILESC1COCCN1.O=C1NC[C@@H](CN(Cc2ccccc2)Cc2ccccc2)O1.S
InChIInChI=1S/C18H20N2O2.C4H9NO.H2S/c21-18-19-11-17(22-18)14-20(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16;1-3-6-4-2-5-1;/h1-10,17H,11-14H2,(H,19,21);5H,1-4H2;1H2/t17-;;/m0../s1
InChIKeyGUKLIVXIUBHUJS-RMRYJAPISA-N
MW417.58 g/mol
LogP2.52
Rot. Bonds6

About (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane

(5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane (PubChem CID 158369284) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane.

Molecular Properties

Compound Name(5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane
PubChem CID158369284
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name(5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane
SMILESC1COCCN1.O=C1NC[C@@H](CN(Cc2ccccc2)Cc2ccccc2)O1.S
InChIInChI=1S/C18H20N2O2.C4H9NO.H2S/c21-18-19-11-17(22-18)14-20(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16;1-3-6-4-2-5-1;/h1-10,17H,11-14H2,(H,19,21);5H,1-4H2;1H2/t17-;;/m0../s1
InChIKeyGUKLIVXIUBHUJS-RMRYJAPISA-N
XLogP2.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane?
The IUPAC name of (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane (CID 158369284) is (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane.
What is the SMILES notation for (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane?
The canonical SMILES for (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane is C1COCCN1.O=C1NC[C@@H](CN(Cc2ccccc2)Cc2ccccc2)O1.S.
What is the InChIKey of (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane?
The InChIKey is GUKLIVXIUBHUJS-RMRYJAPISA-N. The full InChI is InChI=1S/C18H20N2O2.C4H9NO.H2S/c21-18-19-11-17(22-18)14-20(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16;1-3-6-4-2-5-1;/h1-10,17H,11-14H2,(H,19,21);5H,1-4H2;1H2/t17-;;/m0../s1.
What are the key properties of (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane?
(5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane has a molecular weight of 417.58 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(dibenzylamino)methyl]-1,3-oxazolidin-2-one;morpholine;sulfane is sourced from PubChem (CID 158369284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).