(4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one

C10H9N5OS — CID 29158612

IUPAC(4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one
SMILESNC1=N[C@@]2(NC(=S)N1)C(=O)Nc1ccccc12
InChIInChI=1S/C10H9N5OS/c11-8-13-9(17)15-10(14-8)5-3-1-2-4-6(5)12-7(10)16/h1-4H,(H,12,16)(H4,11,13,14,15,17)/t10-/m0/s1
InChIKeyQOIFBKBGOMEKBL-JTQLQIEISA-N
MW247.28 g/mol
LogP-0.42
Rot. Bonds

About (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one

(4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one (PubChem CID 29158612) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name(4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one
PubChem CID29158612
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name(4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one
SMILESNC1=N[C@@]2(NC(=S)N1)C(=O)Nc1ccccc12
InChIInChI=1S/C10H9N5OS/c11-8-13-9(17)15-10(14-8)5-3-1-2-4-6(5)12-7(10)16/h1-4H,(H,12,16)(H4,11,13,14,15,17)/t10-/m0/s1
InChIKeyQOIFBKBGOMEKBL-JTQLQIEISA-N
XLogP-0.42
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one?
The IUPAC name of (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one (CID 29158612) is (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one.
What is the SMILES notation for (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one?
The canonical SMILES for (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one is NC1=N[C@@]2(NC(=S)N1)C(=O)Nc1ccccc12.
What is the InChIKey of (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one?
The InChIKey is QOIFBKBGOMEKBL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9N5OS/c11-8-13-9(17)15-10(14-8)5-3-1-2-4-6(5)12-7(10)16/h1-4H,(H,12,16)(H4,11,13,14,15,17)/t10-/m0/s1.
What are the key properties of (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one?
(4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one has a molecular weight of 247.28 g/mol, XLogP of -0.42, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-2-sulfanylidenespiro[1,3-dihydro-1,3,5-triazine-4,3'-1H-indole]-2'-one is sourced from PubChem (CID 29158612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).