propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate

C22H34N2O3S — CID 169139105

IUPACpropan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate
SMILESCCc1cc2c(s1)CCOC21CCN(CC2CC(NC(=O)OC(C)C)C2)CC1
InChIInChI=1S/C22H34N2O3S/c1-4-18-13-19-20(28-18)5-10-26-22(19)6-8-24(9-7-22)14-16-11-17(12-16)23-21(25)27-15(2)3/h13,15-17H,4-12,14H2,1-3H3,(H,23,25)
InChIKeyPEFBNJIUYQKTFN-UHFFFAOYSA-N
MW406.59 g/mol
LogP4.09
Rot. Bonds5

About propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate

propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate (PubChem CID 169139105) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate
PubChem CID169139105
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC Namepropan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate
SMILESCCc1cc2c(s1)CCOC21CCN(CC2CC(NC(=O)OC(C)C)C2)CC1
InChIInChI=1S/C22H34N2O3S/c1-4-18-13-19-20(28-18)5-10-26-22(19)6-8-24(9-7-22)14-16-11-17(12-16)23-21(25)27-15(2)3/h13,15-17H,4-12,14H2,1-3H3,(H,23,25)
InChIKeyPEFBNJIUYQKTFN-UHFFFAOYSA-N
XLogP4.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl) N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate
CID 169139084
N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]-2-methylsulfonylacetamide
CID 169138932
N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]-1,3-dihydroxycyclobutane-1-carboxamide
CID 169140118
5-[[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]amino]sulfanyl-1,3-dihydrobenzimidazol-2-one
CID 169139353
[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]azetidin-1-yl]-phenylmethanone
CID 169139543
difluoromethane;N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]cyclopropanecarboxamide;molecular hydrogen
CID 169138567
N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 170127546
N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-2-methylpyrimidine-4-carboxamide
CID 169140195
N-[3-[[(4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide;molecular hydrogen
CID 169140091
N-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]cyclobutyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 169138813
N-cyclohexyl-5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxamide;ethane
CID 169138695
1-[3-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]azetidin-1-yl]-2-methylsulfonylpropan-1-one
CID 169139971

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate?
The IUPAC name of propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate (CID 169139105) is propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate is CCc1cc2c(s1)CCOC21CCN(CC2CC(NC(=O)OC(C)C)C2)CC1.
What is the InChIKey of propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate?
The InChIKey is PEFBNJIUYQKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-4-18-13-19-20(28-18)5-10-26-22(19)6-8-24(9-7-22)14-16-11-17(12-16)23-21(25)27-15(2)3/h13,15-17H,4-12,14H2,1-3H3,(H,23,25).
What are the key properties of propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate?
propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate has a molecular weight of 406.59 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 169139105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).