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]cyclopropanesulfonamide

C22H32F2N2O3S2 — CID 169140506

IUPACN-[3-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanesulfonamide
SMILESC[C@H]1C[C@@]2(CCN1CC1CC(NS(=O)(=O)C3CC3)C1)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C22H32F2N2O3S2/c1-14-12-22(21-16(4-7-29-22)10-18(30-21)11-20(23)24)5-6-26(14)13-15-8-17(9-15)25-31(27,28)19-2-3-19/h10,14-15,17,19-20,25H,2-9,11-13H2,1H3/t14-,15?,17?,22+/m0/s1
InChIKeyFKXNKGUTOYTBOF-WZYQDNAQSA-N
MW474.64 g/mol
LogP3.67
Rot. Bonds7

About 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]cyclopropanesulfonamide

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]cyclopropanesulfonamide (PubChem CID 169140506) has the molecular formula C22H32F2N2O3S2 and a molecular weight of 474.64 g/mol. Its IUPAC name is 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]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanesulfonamide
PubChem CID169140506
Molecular FormulaC22H32F2N2O3S2
Molecular Weight474.64 g/mol
Exact Mass474.18
IUPAC NameN-[3-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanesulfonamide
SMILESC[C@H]1C[C@@]2(CCN1CC1CC(NS(=O)(=O)C3CC3)C1)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C22H32F2N2O3S2/c1-14-12-22(21-16(4-7-29-22)10-18(30-21)11-20(23)24)5-6-26(14)13-15-8-17(9-15)25-31(27,28)19-2-3-19/h10,14-15,17,19-20,25H,2-9,11-13H2,1H3/t14-,15?,17?,22+/m0/s1
InChIKeyFKXNKGUTOYTBOF-WZYQDNAQSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.64
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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]cyclopropanesulfonamide?
The IUPAC name of 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]cyclopropanesulfonamide (CID 169140506) is 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]cyclopropanesulfonamide.
What is the SMILES notation for 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]cyclopropanesulfonamide?
The canonical SMILES for 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]cyclopropanesulfonamide is C[C@H]1C[C@@]2(CCN1CC1CC(NS(=O)(=O)C3CC3)C1)OCCc1cc(CC(F)F)sc12.
What is the InChIKey of 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]cyclopropanesulfonamide?
The InChIKey is FKXNKGUTOYTBOF-WZYQDNAQSA-N. The full InChI is InChI=1S/C22H32F2N2O3S2/c1-14-12-22(21-16(4-7-29-22)10-18(30-21)11-20(23)24)5-6-26(14)13-15-8-17(9-15)25-31(27,28)19-2-3-19/h10,14-15,17,19-20,25H,2-9,11-13H2,1H3/t14-,15?,17?,22+/m0/s1.
What are the key properties of 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]cyclopropanesulfonamide?
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]cyclopropanesulfonamide has a molecular weight of 474.64 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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]cyclopropanesulfonamide is sourced from PubChem (CID 169140506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).