(2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C13H18ClNOS — CID 164725539

IUPAC(2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C13H18ClNOS/c1-8-6-13(7-9(2)15-8)12-10(3-4-16-13)5-11(14)17-12/h5,8-9,15H,3-4,6-7H2,1-2H3/t8-,9+,13?
InChIKeyGBTSTTQPCDYEIK-PHXKMMTBSA-N
MW271.81 g/mol
LogP3.33
Rot. Bonds

About (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

(2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 164725539) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID164725539
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name(2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C13H18ClNOS/c1-8-6-13(7-9(2)15-8)12-10(3-4-16-13)5-11(14)17-12/h5,8-9,15H,3-4,6-7H2,1-2H3/t8-,9+,13?
InChIKeyGBTSTTQPCDYEIK-PHXKMMTBSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 164725539) is (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is C[C@@H]1CC2(C[C@H](C)N1)OCCc1cc(Cl)sc12.
What is the InChIKey of (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is GBTSTTQPCDYEIK-PHXKMMTBSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-8-6-13(7-9(2)15-8)12-10(3-4-16-13)5-11(14)17-12/h5,8-9,15H,3-4,6-7H2,1-2H3/t8-,9+,13?.
What are the key properties of (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 271.81 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,6'R)-2-chloro-2',6'-dimethylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 164725539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).