spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

C12H14N2OS — CID 58316537

IUPACspiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCOc3ccccc32)CCS1
InChIInChI=1S/C12H14N2OS/c13-11-14-12(6-8-16-11)5-7-15-10-4-2-1-3-9(10)12/h1-4H,5-8H2,(H2,13,14)
InChIKeyBDEHZKQRMNMXAO-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.12
Rot. Bonds

About spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (PubChem CID 58316537) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.

Molecular Properties

Compound Namespiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
PubChem CID58316537
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Namespiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCOc3ccccc32)CCS1
InChIInChI=1S/C12H14N2OS/c13-11-14-12(6-8-16-11)5-7-15-10-4-2-1-3-9(10)12/h1-4H,5-8H2,(H2,13,14)
InChIKeyBDEHZKQRMNMXAO-UHFFFAOYSA-N
XLogP2.12
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The IUPAC name of spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (CID 58316537) is spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.
What is the SMILES notation for spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The canonical SMILES for spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is NC1=NC2(CCOc3ccccc32)CCS1.
What is the InChIKey of spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The InChIKey is BDEHZKQRMNMXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-11-14-12(6-8-16-11)5-7-15-10-4-2-1-3-9(10)12/h1-4H,5-8H2,(H2,13,14).
What are the key properties of spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine has a molecular weight of 234.32 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is sourced from PubChem (CID 58316537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).