1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]

C16H23NOS — CID 17233907

IUPAC1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]
SMILESCN1CCC2(CC1)OC1CCCCC1c1sccc12
InChIInChI=1S/C16H23NOS/c1-17-9-7-16(8-10-17)13-6-11-19-15(13)12-4-2-3-5-14(12)18-16/h6,11-12,14H,2-5,7-10H2,1H3
InChIKeyJVVJQXXUHSTANP-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.73
Rot. Bonds

About 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]

1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine] (PubChem CID 17233907) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine].

Molecular Properties

Compound Name1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]
PubChem CID17233907
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]
SMILESCN1CCC2(CC1)OC1CCCCC1c1sccc12
InChIInChI=1S/C16H23NOS/c1-17-9-7-16(8-10-17)13-6-11-19-15(13)12-4-2-3-5-14(12)18-16/h6,11-12,14H,2-5,7-10H2,1H3
InChIKeyJVVJQXXUHSTANP-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]?
The IUPAC name of 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine] (CID 17233907) is 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine].
What is the SMILES notation for 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]?
The canonical SMILES for 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine] is CN1CCC2(CC1)OC1CCCCC1c1sccc12.
What is the InChIKey of 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]?
The InChIKey is JVVJQXXUHSTANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-17-9-7-16(8-10-17)13-6-11-19-15(13)12-4-2-3-5-14(12)18-16/h6,11-12,14H,2-5,7-10H2,1H3.
What are the key properties of 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine]?
1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine] has a molecular weight of 277.43 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine] is sourced from PubChem (CID 17233907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).