4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C15H22ClNOS — CID 123385925

IUPAC4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC(C)(C)C1COC2(CCNCC2)c2sc(Cl)cc21
InChIInChI=1S/C15H22ClNOS/c1-14(2,3)11-9-18-15(4-6-17-7-5-15)13-10(11)8-12(16)19-13/h8,11,17H,4-7,9H2,1-3H3
InChIKeyOMTNWUVTXMJCLP-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.14
Rot. Bonds

About 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 123385925) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID123385925
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCC(C)(C)C1COC2(CCNCC2)c2sc(Cl)cc21
InChIInChI=1S/C15H22ClNOS/c1-14(2,3)11-9-18-15(4-6-17-7-5-15)13-10(11)8-12(16)19-13/h8,11,17H,4-7,9H2,1-3H3
InChIKeyOMTNWUVTXMJCLP-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 123385925) is 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CC(C)(C)C1COC2(CCNCC2)c2sc(Cl)cc21.
What is the InChIKey of 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is OMTNWUVTXMJCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-14(2,3)11-9-18-15(4-6-17-7-5-15)13-10(11)8-12(16)19-13/h8,11,17H,4-7,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 299.87 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 123385925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).