spiro[1,2-dihydroindole-3,4'-thiane]

C12H15NS — CID 67174962

IUPACspiro[1,2-dihydroindole-3,4'-thiane]
SMILESc1ccc2c(c1)NCC21CCSCC1
InChIInChI=1S/C12H15NS/c1-2-4-11-10(3-1)12(9-13-11)5-7-14-8-6-12/h1-4,13H,5-9H2
InChIKeyQPYIXENSNVGWNM-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.88
Rot. Bonds

About spiro[1,2-dihydroindole-3,4'-thiane]

spiro[1,2-dihydroindole-3,4'-thiane] (PubChem CID 67174962) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is spiro[1,2-dihydroindole-3,4'-thiane].

Molecular Properties

Compound Namespiro[1,2-dihydroindole-3,4'-thiane]
PubChem CID67174962
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Namespiro[1,2-dihydroindole-3,4'-thiane]
SMILESc1ccc2c(c1)NCC21CCSCC1
InChIInChI=1S/C12H15NS/c1-2-4-11-10(3-1)12(9-13-11)5-7-14-8-6-12/h1-4,13H,5-9H2
InChIKeyQPYIXENSNVGWNM-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindole-3,4'-thiane]?
The IUPAC name of spiro[1,2-dihydroindole-3,4'-thiane] (CID 67174962) is spiro[1,2-dihydroindole-3,4'-thiane].
What is the SMILES notation for spiro[1,2-dihydroindole-3,4'-thiane]?
The canonical SMILES for spiro[1,2-dihydroindole-3,4'-thiane] is c1ccc2c(c1)NCC21CCSCC1.
What is the InChIKey of spiro[1,2-dihydroindole-3,4'-thiane]?
The InChIKey is QPYIXENSNVGWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-4-11-10(3-1)12(9-13-11)5-7-14-8-6-12/h1-4,13H,5-9H2.
What are the key properties of spiro[1,2-dihydroindole-3,4'-thiane]?
spiro[1,2-dihydroindole-3,4'-thiane] has a molecular weight of 205.33 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindole-3,4'-thiane] is sourced from PubChem (CID 67174962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).