tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate

C19H25NO4S — CID 59312165

IUPACtert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)S2
InChIInChI=1S/C19H25NO4S/c1-18(2,3)24-17(22)20-9-7-19(8-10-20)12-15(21)14-11-13(23-4)5-6-16(14)25-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyIVHUVLBVJLCRFQ-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.14
Rot. Bonds1

About tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate

tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 59312165) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate
PubChem CID59312165
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Nametert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)S2
InChIInChI=1S/C19H25NO4S/c1-18(2,3)24-17(22)20-9-7-19(8-10-20)12-15(21)14-11-13(23-4)5-6-16(14)25-19/h5-6,11H,7-10,12H2,1-4H3
InChIKeyIVHUVLBVJLCRFQ-UHFFFAOYSA-N
XLogP4.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxyspiro[3H-thiochromene-2,4'-piperidine]-4-one;hydrochloride
CID 68664168
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
tert-butyl 5-methoxy-2-[(4-methoxyphenyl)methyl]-3-oxospiro[isoindole-1,4'-piperidine]-1'-carboxylate
CID 21054708
tert-butyl 6-methoxy-4-phenylspiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 66696309
tert-butyl 3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
CID 46506807
1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate
CID 118060994
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
CID 113077843
tert-butyl 4-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylpiperidine-1-carboxylate
CID 154713293
tert-butyl 2-(4-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 163836171
tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
CID 126847258

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate (CID 59312165) is tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate is COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)OC(C)(C)C)CC1)S2.
What is the InChIKey of tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is IVHUVLBVJLCRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-18(2,3)24-17(22)20-9-7-19(8-10-20)12-15(21)14-11-13(23-4)5-6-16(14)25-19/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate?
tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 363.48 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 59312165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).