spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid

C12H15NO3S — CID 67168714

IUPACspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C12H15NO3S/c14-11(15)13-5-3-12(4-6-13)10-9(1-7-16-12)2-8-17-10/h2,8H,1,3-7H2,(H,14,15)
InChIKeyKUEWTLIKQMRKCO-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.29
Rot. Bonds

About spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid

spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid (PubChem CID 67168714) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Namespiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
PubChem CID67168714
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Namespiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C12H15NO3S/c14-11(15)13-5-3-12(4-6-13)10-9(1-7-16-12)2-8-17-10/h2,8H,1,3-7H2,(H,14,15)
InChIKeyKUEWTLIKQMRKCO-UHFFFAOYSA-N
XLogP2.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid (CID 67168714) is spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid?
The InChIKey is KUEWTLIKQMRKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-11(15)13-5-3-12(4-6-13)10-9(1-7-16-12)2-8-17-10/h2,8H,1,3-7H2,(H,14,15).
What are the key properties of spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid?
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 67168714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).