tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride

C70H97Cl4N9O11S6 — CID 165102224

About tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride

tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride (PubChem CID 165102224) has the molecular formula C70H97Cl4N9O11S6 and a molecular weight of 1574.81 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride
• PubChem CID: 165102224
• Molecular Formula: C70H97Cl4N9O11S6
• Molecular Weight: 1574.81 g/mol
• Exact Mass: 1571.44
• IUPAC Name: tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride
• SMILES: CN[C@@H](C)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.Cc1c(C[C@H](C)N(C)C(=O)OC(C)(C)C)sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)cc(Cl)nc12.Cc1c(C[C@H](C)NC(=O)OC(C)(C)C)sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)cc(Cl)nc12.Cl.S.S.S
• InChI: InChI=1S/C27H36ClN3O5S.C26H34ClN3O5S.C17H20ClN3OS.ClH.3H2S/c1-16(30(9)24(32)35-26(3,4)5)13-20-17(2)22-23(37-20)19(14-21(28)29-22)31(15-18-11-10-12-34-18)25(33)36-27(6,7)8;1-15(28-23(31)34-25(3,4)5)12-19-16(2)21-22(36-19)18(13-20(27)29-21)30(14-17-10-9-11-33-17)24(32)35-26(6,7)8;1-10(19-3)7-14-11(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12;;;;/h10-12,14,16H,13,15H2,1-9H3;9-11,13,15H,12,14H2,1-8H3,(H,28,31);4-6,8,10,19H,7,9H2,1-3H3,(H,20,21);1H;3*1H2/t16-;15-;10-;;;;/m000..../s1
• InChIKey: PROJZDSEWKZCOI-ZTOAUGNQSA-N
• XLogP: 20.21
• TPSA: 229.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.81
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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 tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride?

The IUPAC name of tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride (CID 165102224) is tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride.

What is the SMILES notation for tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride?

The canonical SMILES for tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride is CN[C@@H](C)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1C.Cc1c(C[C@H](C)N(C)C(=O)OC(C)(C)C)sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)cc(Cl)nc12.Cc1c(C[C@H](C)NC(=O)OC(C)(C)C)sc2c(N(Cc3ccco3)C(=O)OC(C)(C)C)cc(Cl)nc12.Cl.S.S.S.

What is the InChIKey of tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride?

The InChIKey is PROJZDSEWKZCOI-ZTOAUGNQSA-N. The full InChI is InChI=1S/C27H36ClN3O5S.C26H34ClN3O5S.C17H20ClN3OS.ClH.3H2S/c1-16(30(9)24(32)35-26(3,4)5)13-20-17(2)22-23(37-20)19(14-21(28)29-22)31(15-18-11-10-12-34-18)25(33)36-27(6,7)8;1-15(28-23(31)34-25(3,4)5)12-19-16(2)21-22(36-19)18(13-20(27)29-21)30(14-17-10-9-11-33-17)24(32)35-26(6,7)8;1-10(19-3)7-14-11(2)16-17(23-14)13(8-15(18)21-16)20-9-12-5-4-6-22-12;;;;/h10-12,14,16H,13,15H2,1-9H3;9-11,13,15H,12,14H2,1-8H3,(H,28,31);4-6,8,10,19H,7,9H2,1-3H3,(H,20,21);1H;3*1H2/t16-;15-;10-;;;;/m000..../s1.

What are the key properties of tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride?

tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride has a molecular weight of 1574.81 g/mol, XLogP of 20.21, 18 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[5-chloro-7-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylthieno[3,2-b]pyridin-2-yl]propan-2-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-methyl-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]thieno[3,2-b]pyridin-7-yl]-N-(furan-2-ylmethyl)carbamate;5-chloro-N-(furan-2-ylmethyl)-3-methyl-2-[(2S)-2-(methylamino)propyl]thieno[3,2-b]pyridin-7-amine;sulfane;hydrochloride is sourced from PubChem (CID 165102224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).