3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide

C17H24F2N2O3S — CID 169138579

IUPAC3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)CN1CCC2(CC1)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C17H24F2N2O3S/c1-20-16(23)13(22)10-21-5-3-17(4-6-21)15-11(2-7-24-17)8-12(25-15)9-14(18)19/h8,13-14,22H,2-7,9-10H2,1H3,(H,20,23)
InChIKeyLORWXUBLZRCSQF-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.53
Rot. Bonds5

About 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide

3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide (PubChem CID 169138579) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide
PubChem CID169138579
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)CN1CCC2(CC1)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C17H24F2N2O3S/c1-20-16(23)13(22)10-21-5-3-17(4-6-21)15-11(2-7-24-17)8-12(25-15)9-14(18)19/h8,13-14,22H,2-7,9-10H2,1H3,(H,20,23)
InChIKeyLORWXUBLZRCSQF-UHFFFAOYSA-N
XLogP1.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-1-(3,4-difluorophenyl)ethanol
CID 169139665
4-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]oxan-4-ol
CID 170128798
2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol
CID 170128756
(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169140653
5-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]pyrrolidin-2-one
CID 170128849
[1'-(3-methylbut-2-enyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]-morpholin-4-ylmethanone
CID 170508862
(2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide
CID 52951808
N-[3-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 169140045
2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
CID 170510981
formic acid;methyl 2-[[1'-(2,3-dihydroxypropyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl]amino]acetate
CID 171712703
1'-[(2-amino-3-pyridinyl)methyl]-N-propan-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506393
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164696098

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide (CID 169138579) is 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide is CNC(=O)C(O)CN1CCC2(CC1)OCCc1cc(CC(F)F)sc12.
What is the InChIKey of 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide?
The InChIKey is LORWXUBLZRCSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-20-16(23)13(22)10-21-5-3-17(4-6-21)15-11(2-7-24-17)8-12(25-15)9-14(18)19/h8,13-14,22H,2-7,9-10H2,1H3,(H,20,23).
What are the key properties of 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide?
3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide has a molecular weight of 374.45 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 169138579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).