spiro[3aH-2-benzothiophene-3,4'-piperidine]

C12H15NS — CID 173002443

IUPACspiro[3aH-2-benzothiophene-3,4'-piperidine]
SMILESC1=CC2=CSC3(CCNCC3)C2C=C1
InChIInChI=1S/C12H15NS/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,9,11,13H,5-8H2
InChIKeyVVSRUCKOSLOMRY-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.48
Rot. Bonds

About spiro[3aH-2-benzothiophene-3,4'-piperidine]

spiro[3aH-2-benzothiophene-3,4'-piperidine] (PubChem CID 173002443) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is spiro[3aH-2-benzothiophene-3,4'-piperidine].

Molecular Properties

Compound Namespiro[3aH-2-benzothiophene-3,4'-piperidine]
PubChem CID173002443
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Namespiro[3aH-2-benzothiophene-3,4'-piperidine]
SMILESC1=CC2=CSC3(CCNCC3)C2C=C1
InChIInChI=1S/C12H15NS/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,9,11,13H,5-8H2
InChIKeyVVSRUCKOSLOMRY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3aH-2-benzothiophene-3,4'-piperidine]?
The IUPAC name of spiro[3aH-2-benzothiophene-3,4'-piperidine] (CID 173002443) is spiro[3aH-2-benzothiophene-3,4'-piperidine].
What is the SMILES notation for spiro[3aH-2-benzothiophene-3,4'-piperidine]?
The canonical SMILES for spiro[3aH-2-benzothiophene-3,4'-piperidine] is C1=CC2=CSC3(CCNCC3)C2C=C1.
What is the InChIKey of spiro[3aH-2-benzothiophene-3,4'-piperidine]?
The InChIKey is VVSRUCKOSLOMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,9,11,13H,5-8H2.
What are the key properties of spiro[3aH-2-benzothiophene-3,4'-piperidine]?
spiro[3aH-2-benzothiophene-3,4'-piperidine] has a molecular weight of 205.33 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3aH-2-benzothiophene-3,4'-piperidine] is sourced from PubChem (CID 173002443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).