2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride

C62H76BrCl4N11O9S6 — CID 165110704

About 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride

2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride (PubChem CID 165110704) has the molecular formula C62H76BrCl4N11O9S6 and a molecular weight of 1533.48 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride.

Molecular Properties

• Compound Name: 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride
• PubChem CID: 165110704
• Molecular Formula: C62H76BrCl4N11O9S6
• Molecular Weight: 1533.48 g/mol
• Exact Mass: 1529.21
• IUPAC Name: 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride
• SMILES: C[C@@H](Cc1sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)cc(Cl)nc2c1Br)NC(=O)OC(C)(C)C.C[C@@H](Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C#N)NC(=O)OC(C)(C)C.C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C#N.Cl.S.S.S
• InChI: InChI=1S/C25H31BrClN3O5S.C21H23ClN4O3S.C16H15ClN4OS.ClH.3H2S/c1-14(28-22(31)34-24(2,3)4)11-17-19(26)20-21(36-17)16(12-18(27)29-20)30(13-15-9-8-10-33-15)23(32)35-25(5,6)7;1-12(25-20(27)29-21(2,3)4)8-16-14(10-23)18-19(30-16)15(9-17(22)26-18)24-11-13-6-5-7-28-13;1-9(19)5-13-11(7-18)15-16(23-13)12(6-14(17)21-15)20-8-10-3-2-4-22-10;;;;/h8-10,12,14H,11,13H2,1-7H3,(H,28,31);5-7,9,12H,8,11H2,1-4H3,(H,24,26)(H,25,27);2-4,6,9H,5,8,19H2,1H3,(H,20,21);1H;3*1H2/t14-;12-;9-;;;;/m000..../s1
• InChIKey: UNIQRKIBOLNRAB-OHDKGONASA-N
• XLogP: 17.86
• TPSA: 281.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1533.48
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride?

The IUPAC name of 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride (CID 165110704) is 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride.

What is the SMILES notation for 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride?

The canonical SMILES for 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride is C[C@@H](Cc1sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)cc(Cl)nc2c1Br)NC(=O)OC(C)(C)C.C[C@@H](Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C#N)NC(=O)OC(C)(C)C.C[C@H](N)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C#N.Cl.S.S.S.

What is the InChIKey of 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride?

The InChIKey is UNIQRKIBOLNRAB-OHDKGONASA-N. The full InChI is InChI=1S/C25H31BrClN3O5S.C21H23ClN4O3S.C16H15ClN4OS.ClH.3H2S/c1-14(28-22(31)34-24(2,3)4)11-17-19(26)20-21(36-17)16(12-18(27)29-20)30(13-15-9-8-10-33-15)23(32)35-25(5,6)7;1-12(25-20(27)29-21(2,3)4)8-16-14(10-23)18-19(30-16)15(9-17(22)26-18)24-11-13-6-5-7-28-13;1-9(19)5-13-11(7-18)15-16(23-13)12(6-14(17)21-15)20-8-10-3-2-4-22-10;;;;/h8-10,12,14H,11,13H2,1-7H3,(H,28,31);5-7,9,12H,8,11H2,1-4H3,(H,24,26)(H,25,27);2-4,6,9H,5,8,19H2,1H3,(H,20,21);1H;3*1H2/t14-;12-;9-;;;;/m000..../s1.

What are the key properties of 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride?

2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride has a molecular weight of 1533.48 g/mol, XLogP of 17.86, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-aminopropyl]-5-chloro-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3-carbonitrile;tert-butyl N-[3-bromo-5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;tert-butyl N-[(2S)-1-[5-chloro-3-cyano-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-2-yl]carbamate;sulfane;hydrochloride is sourced from PubChem (CID 165110704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).