2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine

C16H13IN2OS — CID 67437550

IUPAC2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CCS1)c1ccccc1Oc1ccc(I)cc12
InChIInChI=1S/C16H13IN2OS/c17-10-5-6-14-12(9-10)16(7-8-21-15(18)19-16)11-3-1-2-4-13(11)20-14/h1-6,9H,7-8H2,(H2,18,19)
InChIKeyUESOYKMBWRHWOZ-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.09
Rot. Bonds

About 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine

2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine (PubChem CID 67437550) has the molecular formula C16H13IN2OS and a molecular weight of 408.26 g/mol. Its IUPAC name is 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine
PubChem CID67437550
Molecular FormulaC16H13IN2OS
Molecular Weight408.26 g/mol
Exact Mass407.98
IUPAC Name2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CCS1)c1ccccc1Oc1ccc(I)cc12
InChIInChI=1S/C16H13IN2OS/c17-10-5-6-14-12(9-10)16(7-8-21-15(18)19-16)11-3-1-2-4-13(11)20-14/h1-6,9H,7-8H2,(H2,18,19)
InChIKeyUESOYKMBWRHWOZ-UHFFFAOYSA-N
XLogP4.09
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine (CID 67437550) is 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine is NC1=NC2(CCS1)c1ccccc1Oc1ccc(I)cc12.
What is the InChIKey of 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine?
The InChIKey is UESOYKMBWRHWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2OS/c17-10-5-6-14-12(9-10)16(7-8-21-15(18)19-16)11-3-1-2-4-13(11)20-14/h1-6,9H,7-8H2,(H2,18,19).
What are the key properties of 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine?
2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine has a molecular weight of 408.26 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-iodospiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67437550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).