2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide

C27H35N3O2S — CID 22867469

IUPAC2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](CSCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C27H35N3O2S/c1-26(2,28)25(32)29-23(19-33-18-20-8-4-3-5-9-20)24(31)30-16-14-27(15-17-30)13-12-21-10-6-7-11-22(21)27/h3-11,23H,12-19,28H2,1-2H3,(H,29,32)/t23-/m1/s1
InChIKeyDWWXIVPOFAYHHV-HSZRJFAPSA-N
MW465.66 g/mol
LogP3.65
Rot. Bonds7

About 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide

2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide (PubChem CID 22867469) has the molecular formula C27H35N3O2S and a molecular weight of 465.66 g/mol. Its IUPAC name is 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide
PubChem CID22867469
Molecular FormulaC27H35N3O2S
Molecular Weight465.66 g/mol
Exact Mass465.24
IUPAC Name2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](CSCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C27H35N3O2S/c1-26(2,28)25(32)29-23(19-33-18-20-8-4-3-5-9-20)24(31)30-16-14-27(15-17-30)13-12-21-10-6-7-11-22(21)27/h3-11,23H,12-19,28H2,1-2H3,(H,29,32)/t23-/m1/s1
InChIKeyDWWXIVPOFAYHHV-HSZRJFAPSA-N
XLogP3.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263511
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263512
(1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263516
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-ethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45265877
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45265878
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45265888
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(methylthio)acetamide
CID 23723347
2-amino-N-[(2R)-4-cyclohexyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]-2-methylpropanamide;hydrochloride
CID 22867375
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide
CID 44293557
2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide;hydrochloride
CID 45263954
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride
CID 45264075
2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide
CID 44293091

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide (CID 22867469) is 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](CSCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide?
The InChIKey is DWWXIVPOFAYHHV-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H35N3O2S/c1-26(2,28)25(32)29-23(19-33-18-20-8-4-3-5-9-20)24(31)30-16-14-27(15-17-30)13-12-21-10-6-7-11-22(21)27/h3-11,23H,12-19,28H2,1-2H3,(H,29,32)/t23-/m1/s1.
What are the key properties of 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide?
2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide has a molecular weight of 465.66 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22867469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).