4,4-dibenzyl-1,3-oxazolidine-2-thione

C17H17NOS — CID 25214828

IUPAC4,4-dibenzyl-1,3-oxazolidine-2-thione
SMILESS=C1NC(Cc2ccccc2)(Cc2ccccc2)CO1
InChIInChI=1S/C17H17NOS/c20-16-18-17(13-19-16,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)
InChIKeyNKUDHGWILWFMGO-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.12
Rot. Bonds4

About 4,4-dibenzyl-1,3-oxazolidine-2-thione

4,4-dibenzyl-1,3-oxazolidine-2-thione (PubChem CID 25214828) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4,4-dibenzyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4,4-dibenzyl-1,3-oxazolidine-2-thione
PubChem CID25214828
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name4,4-dibenzyl-1,3-oxazolidine-2-thione
SMILESS=C1NC(Cc2ccccc2)(Cc2ccccc2)CO1
InChIInChI=1S/C17H17NOS/c20-16-18-17(13-19-16,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)
InChIKeyNKUDHGWILWFMGO-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 102580214
6-benzyl-4,4,6-trimethyl-1,3-oxazinane-2-thione
CID 4967811
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
4,4-dibenzylimidazolidine
CID 91332332
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
4,4-dibenzyl-1,3-oxazolidine-2,5-dione
CID 54213931
[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
CID 126483740
2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium
CID 86746663
3-benzyl-2,4-dihydrochromen-3-amine
CID 65422673
3,9,15-tribenzyl-3,9,15-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 102513519
(3R)-3-benzyl-3-methyloxolan-2-one
CID 10261923
2-[(2R)-2-benzyloxiran-2-yl]ethanamine
CID 151856778

Frequently Asked Questions

What is the IUPAC name of 4,4-dibenzyl-1,3-oxazolidine-2-thione?
The IUPAC name of 4,4-dibenzyl-1,3-oxazolidine-2-thione (CID 25214828) is 4,4-dibenzyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4,4-dibenzyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 4,4-dibenzyl-1,3-oxazolidine-2-thione is S=C1NC(Cc2ccccc2)(Cc2ccccc2)CO1.
What is the InChIKey of 4,4-dibenzyl-1,3-oxazolidine-2-thione?
The InChIKey is NKUDHGWILWFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c20-16-18-17(13-19-16,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20).
What are the key properties of 4,4-dibenzyl-1,3-oxazolidine-2-thione?
4,4-dibenzyl-1,3-oxazolidine-2-thione has a molecular weight of 283.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibenzyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 25214828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).