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

C16H24ClNOS — CID 17233906

IUPAC1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride
SMILESCN1CCC2(CC1)OC1CCCCC1c1sccc12.Cl
InChIInChI=1S/C16H23NOS.ClH/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;1H
InChIKeyFKYYYXULYVOXMJ-UHFFFAOYSA-N
MW313.89 g/mol
LogP4.15
Rot. Bonds

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

1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride (PubChem CID 17233906) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride
PubChem CID17233906
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride
SMILESCN1CCC2(CC1)OC1CCCCC1c1sccc12.Cl
InChIInChI=1S/C16H23NOS.ClH/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;1H
InChIKeyFKYYYXULYVOXMJ-UHFFFAOYSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.15
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];hydrochloride?
The IUPAC name of 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride (CID 17233906) is 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride is CN1CCC2(CC1)OC1CCCCC1c1sccc12.Cl.
What is the InChIKey of 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride?
The InChIKey is FKYYYXULYVOXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS.ClH/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;1H.
What are the key properties of 1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride?
1'-methylspiro[5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene-4,4'-piperidine];hydrochloride has a molecular weight of 313.89 g/mol, XLogP of 4.15, 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];hydrochloride is sourced from PubChem (CID 17233906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).