1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C18H27NOS — CID 25167287

IUPAC1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESc1cc2c(s1)CCOC21CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H27NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h7,13,15H,1-6,8-12,14H2
InChIKeyOJXBIGTXKWGBES-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.19
Rot. Bonds2

About 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25167287) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25167287
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESc1cc2c(s1)CCOC21CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H27NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h7,13,15H,1-6,8-12,14H2
InChIKeyOJXBIGTXKWGBES-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25167287) is 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is c1cc2c(s1)CCOC21CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is OJXBIGTXKWGBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h7,13,15H,1-6,8-12,14H2.
What are the key properties of 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 305.49 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25167287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).