2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C14H20ClNOS — CID 164725596

IUPAC2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCC1CC2(CC(C)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C14H20ClNOS/c1-3-11-8-14(7-9(2)16-11)13-10(4-5-17-14)6-12(15)18-13/h6,9,11,16H,3-5,7-8H2,1-2H3
InChIKeyNHISEEHVCFHXTN-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.72
Rot. Bonds1

About 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 164725596) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID164725596
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCC1CC2(CC(C)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C14H20ClNOS/c1-3-11-8-14(7-9(2)16-11)13-10(4-5-17-14)6-12(15)18-13/h6,9,11,16H,3-5,7-8H2,1-2H3
InChIKeyNHISEEHVCFHXTN-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 164725596) is 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CCC1CC2(CC(C)N1)OCCc1cc(Cl)sc12.
What is the InChIKey of 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is NHISEEHVCFHXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-3-11-8-14(7-9(2)16-11)13-10(4-5-17-14)6-12(15)18-13/h6,9,11,16H,3-5,7-8H2,1-2H3.
What are the key properties of 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 285.84 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2'-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 164725596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).