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

C19H29NO2S — CID 25129867

IUPAC1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
InChIInChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3
InChIKeyMIDVFMBEYNBGIQ-UHFFFAOYSA-N
MW335.51 g/mol
LogP4.16
Rot. Bonds3

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

1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 25129867) has the molecular formula C19H29NO2S and a molecular weight of 335.51 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID25129867
Molecular FormulaC19H29NO2S
Molecular Weight335.51 g/mol
Exact Mass335.19
IUPAC Name1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
InChIInChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3
InChIKeyMIDVFMBEYNBGIQ-UHFFFAOYSA-N
XLogP4.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 25129867) is 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COC1Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1.
What is the InChIKey of 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is MIDVFMBEYNBGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2S/c1-21-18-13-17-16(7-12-23-17)19(22-18)8-10-20(11-9-19)14-15-5-3-2-4-6-15/h7,12,15,18H,2-6,8-11,13-14H2,1H3.
What are the key properties of 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 335.51 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 25129867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).