2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane

C₇₃H₁₁₀BF₄I₂N₁₃O₁₀S — CID 158517227

About 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane

2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane (PubChem CID 158517227) has the molecular formula C₇₃H₁₁₀BF₄I₂N₁₃O₁₀S and a molecular weight of 1702.44 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane.

Molecular Properties

• Compound Name: 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
• PubChem CID: 158517227
• Molecular Formula: C₇₃H₁₁₀BF₄I₂N₁₃O₁₀S
• Molecular Weight: 1702.44 g/mol
• Exact Mass: 1701.63
• IUPAC Name: 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
• SMILES: CC(C)(CO)Nc1cc(I)cc(N2CCOCC2)n1.CC(C)(N)CO.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC(C)(C)CO)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(N2CCOCC2)n1.S
• InChI: InChI=1S/C27H39N5O3.C20H28BF3N2O3.C13H20IN3O2.C9H10FIN2O.C4H11NO.H2S/c1-5-20-8-9-32(17-20)26(34)28-22-7-6-19(2)23(16-22)21-14-24(30-27(3,4)18-33)29-25(15-21)31-10-12-35-13-11-31;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-13(2,9-18)16-11-7-10(14)8-12(15-11)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(2,5)3-6;/h6-7,14-16,20,33H,5,8-13,17-18H2,1-4H3,(H,28,34)(H,29,30);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,18H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;6H,3,5H2,1-2H3;1H2/t20-;14-;;;;/m10..../s1
• InChIKey: HLTWRSYVTSODSH-UANSGRHXSA-N
• XLogP: 11.64
• TPSA: 269.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1702.44
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane?

The IUPAC name of 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane (CID 158517227) is 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane.

What is the SMILES notation for 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane?

The canonical SMILES for 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane is CC(C)(CO)Nc1cc(I)cc(N2CCOCC2)n1.CC(C)(N)CO.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC(C)(C)CO)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Fc1cc(I)cc(N2CCOCC2)n1.S.

What is the InChIKey of 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane?

The InChIKey is HLTWRSYVTSODSH-UANSGRHXSA-N. The full InChI is InChI=1S/C27H39N5O3.C20H28BF3N2O3.C13H20IN3O2.C9H10FIN2O.C4H11NO.H2S/c1-5-20-8-9-32(17-20)26(34)28-22-7-6-19(2)23(16-22)21-14-24(30-27(3,4)18-33)29-25(15-21)31-10-12-35-13-11-31;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-13(2,9-18)16-11-7-10(14)8-12(15-11)17-3-5-19-6-4-17;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-4(2,5)3-6;/h6-7,14-16,20,33H,5,8-13,17-18H2,1-4H3,(H,28,34)(H,29,30);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,18H,3-6,9H2,1-2H3,(H,15,16);5-6H,1-4H2;6H,3,5H2,1-2H3;1H2/t20-;14-;;;;/m10..../s1.

What are the key properties of 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane?

2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane has a molecular weight of 1702.44 g/mol, XLogP of 11.64, 16 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methylpropan-1-ol;(3R)-3-ethyl-N-[3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-2-methylpropan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane is sourced from PubChem (CID 158517227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158517227 — identifiers, structure, computed properties (public domain)

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