(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one

C17H17N3O5S — CID 102258791

IUPAC(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one
SMILESCN1C(=O)[C@]2(OC(=S)N[C@H]2C(=O)N2C(=O)OCC2(C)C)c2ccccc21
InChIInChI=1S/C17H17N3O5S/c1-16(2)8-24-15(23)20(16)12(21)11-17(25-14(26)18-11)9-6-4-5-7-10(9)19(3)13(17)22/h4-7,11H,8H2,1-3H3,(H,18,26)/t11-,17-/m0/s1
InChIKeyZDXQMKPOALVACP-GTNSWQLSSA-N
MW375.41 g/mol
LogP0.89
Rot. Bonds1

About (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one

(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one (PubChem CID 102258791) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one.

Molecular Properties

Compound Name(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one
PubChem CID102258791
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one
SMILESCN1C(=O)[C@]2(OC(=S)N[C@H]2C(=O)N2C(=O)OCC2(C)C)c2ccccc21
InChIInChI=1S/C17H17N3O5S/c1-16(2)8-24-15(23)20(16)12(21)11-17(25-14(26)18-11)9-6-4-5-7-10(9)19(3)13(17)22/h4-7,11H,8H2,1-3H3,(H,18,26)/t11-,17-/m0/s1
InChIKeyZDXQMKPOALVACP-GTNSWQLSSA-N
XLogP0.89
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one with MolForge

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Related Compounds

(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-prop-2-enyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one
CID 102258798
(4R,5S)-5'-chloro-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1',7'-dimethyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one
CID 102258795
1-methyl-4'-(2-phenylethenyl)spiro[indole-3,5'-oxolane]-2,2'-dione
CID 141481958
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1,4,4-trimethyl-3,1-benzoxazin-2-one
CID 30633
1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159
N,N-diethyl-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxamide
CID 102335116
ethyl (2'S,3S)-1-methyl-2-oxospiro[indole-3,3'-oxirane]-2'-carboxylate
CID 102223024
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918334
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
3-ethyl-1,3-dimethylindol-2-one
CID 14449303

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one?
The IUPAC name of (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one (CID 102258791) is (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one.
What is the SMILES notation for (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one?
The canonical SMILES for (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one is CN1C(=O)[C@]2(OC(=S)N[C@H]2C(=O)N2C(=O)OCC2(C)C)c2ccccc21.
What is the InChIKey of (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one?
The InChIKey is ZDXQMKPOALVACP-GTNSWQLSSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-16(2)8-24-15(23)20(16)12(21)11-17(25-14(26)18-11)9-6-4-5-7-10(9)19(3)13(17)22/h4-7,11H,8H2,1-3H3,(H,18,26)/t11-,17-/m0/s1.
What are the key properties of (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one?
(4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one has a molecular weight of 375.41 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-1'-methyl-2-sulfanylidenespiro[1,3-oxazolidine-5,3'-indole]-2'-one is sourced from PubChem (CID 102258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).