tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate

C16H24N2O2S — CID 165438476

IUPACtert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate
SMILESCC1Cc2ccsc2C2(CCN(C(=O)OC(C)(C)C)C2)N1
InChIInChI=1S/C16H24N2O2S/c1-11-9-12-5-8-21-13(12)16(17-11)6-7-18(10-16)14(19)20-15(2,3)4/h5,8,11,17H,6-7,9-10H2,1-4H3
InChIKeySEERTPPSSYVTKR-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.12
Rot. Bonds

About tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate

tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate (PubChem CID 165438476) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate
PubChem CID165438476
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Nametert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate
SMILESCC1Cc2ccsc2C2(CCN(C(=O)OC(C)(C)C)C2)N1
InChIInChI=1S/C16H24N2O2S/c1-11-9-12-5-8-21-13(12)16(17-11)6-7-18(10-16)14(19)20-15(2,3)4/h5,8,11,17H,6-7,9-10H2,1-4H3
InChIKeySEERTPPSSYVTKR-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 130941465
tert-butyl 2-methyl-3,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 130597122
tert-butyl (2'S,7S)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
CID 169140447
tert-butyl 3-hydroxy-3-[3-(hydroxymethyl)thiophen-2-yl]azetidine-1-carboxylate
CID 135331679
tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
CID 141432076
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-butyl 8-oxo-6,7-dihydro-4H-thieno[3,2-c]azepine-5-carboxylate
CID 71305794
tert-butyl 2-(7-methyl-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-yl)morpholine-4-carboxylate
CID 165479130
tert-butyl (1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 166776803
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate (CID 165438476) is tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate is CC1Cc2ccsc2C2(CCN(C(=O)OC(C)(C)C)C2)N1.
What is the InChIKey of tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is SEERTPPSSYVTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-9-12-5-8-21-13(12)16(17-11)6-7-18(10-16)14(19)20-15(2,3)4/h5,8,11,17H,6-7,9-10H2,1-4H3.
What are the key properties of tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate?
tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 308.45 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 165438476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).