1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide

C21H32N2O3S — CID 170508642

IUPAC1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
SMILESCCN1CCC2(CC1)OCCc1sc(C(=O)NCCC3CCCOC3)cc12
InChIInChI=1S/C21H32N2O3S/c1-2-23-10-7-21(8-11-23)17-14-19(27-18(17)6-13-26-21)20(24)22-9-5-16-4-3-12-25-15-16/h14,16H,2-13,15H2,1H3,(H,22,24)
InChIKeyPRHWWGKPAJZNOP-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.18
Rot. Bonds5

About 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide

1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide (PubChem CID 170508642) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound Name1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
PubChem CID170508642
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
SMILESCCN1CCC2(CC1)OCCc1sc(C(=O)NCCC3CCCOC3)cc12
InChIInChI=1S/C21H32N2O3S/c1-2-23-10-7-21(8-11-23)17-14-19(27-18(17)6-13-26-21)20(24)22-9-5-16-4-3-12-25-15-16/h14,16H,2-13,15H2,1H3,(H,22,24)
InChIKeyPRHWWGKPAJZNOP-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide?
The IUPAC name of 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide (CID 170508642) is 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide.
What is the SMILES notation for 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide?
The canonical SMILES for 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide is CCN1CCC2(CC1)OCCc1sc(C(=O)NCCC3CCCOC3)cc12.
What is the InChIKey of 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide?
The InChIKey is PRHWWGKPAJZNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-2-23-10-7-21(8-11-23)17-14-19(27-18(17)6-13-26-21)20(24)22-9-5-16-4-3-12-25-15-16/h14,16H,2-13,15H2,1H3,(H,22,24).
What are the key properties of 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide?
1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide has a molecular weight of 392.57 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-N-[2-(oxan-3-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 170508642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).