(2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane

C64H87N5O12S4 — CID 159607546

About (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane

(2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane (PubChem CID 159607546) has the molecular formula C64H87N5O12S4 and a molecular weight of 1246.69 g/mol. Its IUPAC name is (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane.

Molecular Properties

• Compound Name: (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
• PubChem CID: 159607546
• Molecular Formula: C64H87N5O12S4
• Molecular Weight: 1246.69 g/mol
• Exact Mass: 1245.52
• IUPAC Name: (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
• SMILES: CC(=O)N1CC[C@@]2(Cc3ccc(C(=O)NO)cc3C2)C1.COC(=O)c1ccc2c(c1)C[C@]1(CCN(C(=O)OC(C)(C)C)C1)C2.COC(=O)c1ccc2c(c1)C[C@]1(CCN(C(C)=O)C1)C2.COC(=O)c1ccc2c(c1)C[C@]1(CCNC1)C2.S.S.S.S
• InChI: InChI=1S/C19H25NO4.C16H19NO3.C15H18N2O3.C14H17NO2.4H2S/c1-18(2,3)24-17(22)20-8-7-19(12-20)10-14-6-5-13(16(21)23-4)9-15(14)11-19;1-11(18)17-6-5-16(10-17)8-13-4-3-12(15(19)20-2)7-14(13)9-16;1-10(18)17-5-4-15(9-17)7-12-3-2-11(14(19)16-20)6-13(12)8-15;1-17-13(16)10-2-3-11-7-14(4-5-15-9-14)8-12(11)6-10;;;;/h5-6,9H,7-8,10-12H2,1-4H3;3-4,7H,5-6,8-10H2,1-2H3;2-3,6,20H,4-5,7-9H2,1H3,(H,16,19);2-3,6,15H,4-5,7-9H2,1H3;4*1H2/t19-;16-;15-;14-;;;;/m0000..../s1
• InChIKey: MMGQYQYTWYECGL-XCYWFFFJSA-N
• XLogP: 8.15
• TPSA: 210.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.69
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane?

The IUPAC name of (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane (CID 159607546) is (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane.

What is the SMILES notation for (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane?

The canonical SMILES for (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane is CC(=O)N1CC[C@@]2(Cc3ccc(C(=O)NO)cc3C2)C1.COC(=O)c1ccc2c(c1)C[C@]1(CCN(C(=O)OC(C)(C)C)C1)C2.COC(=O)c1ccc2c(c1)C[C@]1(CCN(C(C)=O)C1)C2.COC(=O)c1ccc2c(c1)C[C@]1(CCNC1)C2.S.S.S.S.

What is the InChIKey of (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane?

The InChIKey is MMGQYQYTWYECGL-XCYWFFFJSA-N. The full InChI is InChI=1S/C19H25NO4.C16H19NO3.C15H18N2O3.C14H17NO2.4H2S/c1-18(2,3)24-17(22)20-8-7-19(12-20)10-14-6-5-13(16(21)23-4)9-15(14)11-19;1-11(18)17-6-5-16(10-17)8-13-4-3-12(15(19)20-2)7-14(13)9-16;1-10(18)17-5-4-15(9-17)7-12-3-2-11(14(19)16-20)6-13(12)8-15;1-17-13(16)10-2-3-11-7-14(4-5-15-9-14)8-12(11)6-10;;;;/h5-6,9H,7-8,10-12H2,1-4H3;3-4,7H,5-6,8-10H2,1-2H3;2-3,6,20H,4-5,7-9H2,1H3,(H,16,19);2-3,6,15H,4-5,7-9H2,1H3;4*1H2/t19-;16-;15-;14-;;;;/m0000..../s1.

What are the key properties of (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane?

(2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane has a molecular weight of 1246.69 g/mol, XLogP of 8.15, 4 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;1-O'-tert-butyl 5-O-methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylate;methyl (2S)-1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane is sourced from PubChem (CID 159607546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).