tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate

C22H35N3O3S — CID 155385272

IUPACtert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ncccc1C2(C)NS(=O)C(C)(C)C
InChIInChI=1S/C22H35N3O3S/c1-19(2,3)28-18(26)25-13-10-22(11-14-25)15-17-16(9-8-12-23-17)21(22,7)24-29(27)20(4,5)6/h8-9,12,24H,10-11,13-15H2,1-7H3
InChIKeyMELZYWXDQHGZCQ-UHFFFAOYSA-N
MW421.61 g/mol
LogP3.92
Rot. Bonds2

About tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate

tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate (PubChem CID 155385272) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
PubChem CID155385272
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Nametert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ncccc1C2(C)NS(=O)C(C)(C)C
InChIInChI=1S/C22H35N3O3S/c1-19(2,3)28-18(26)25-13-10-22(11-14-25)15-17-16(9-8-12-23-17)21(22,7)24-29(27)20(4,5)6/h8-9,12,24H,10-11,13-15H2,1-7H3
InChIKeyMELZYWXDQHGZCQ-UHFFFAOYSA-N
XLogP3.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-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 (5R)-5-[[(R)-tert-butylsulfinyl]amino]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146482780
tert-butyl 7-oxospiro[6,8-dihydroquinoline-5,4'-piperidine]-1'-carboxylate
CID 176821528
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 4-(tert-butylsulfinylamino)-4-methylazepane-1-carboxylate
CID 154652687
tert-butyl spiro[2H-furo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxylate
CID 178078018
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
tert-butyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 142434061
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 3-oxospiro[furo[2,3-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 142434085
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-pyridin-3-yl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 155591715

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate (CID 155385272) is tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ncccc1C2(C)NS(=O)C(C)(C)C.
What is the InChIKey of tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
The InChIKey is MELZYWXDQHGZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-19(2,3)28-18(26)25-13-10-22(11-14-25)15-17-16(9-8-12-23-17)21(22,7)24-29(27)20(4,5)6/h8-9,12,24H,10-11,13-15H2,1-7H3.
What are the key properties of tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate?
tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate has a molecular weight of 421.61 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(tert-butylsulfinylamino)-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 155385272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).