2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride

C17H22Cl3N3O3S2 — CID 162391063

About 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride

2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride (PubChem CID 162391063) has the molecular formula C17H22Cl3N3O3S2 and a molecular weight of 486.87 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride.

Molecular Properties

• Compound Name: 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
• PubChem CID: 162391063
• Molecular Formula: C17H22Cl3N3O3S2
• Molecular Weight: 486.87 g/mol
• Exact Mass: 485.02
• IUPAC Name: 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride
• SMILES: Cc1c(C[C@@H](N)CS(C)(=O)=O)sc2c(NCc3ccco3)cc(Cl)nc12.Cl.Cl
• InChI: InChI=1S/C17H20ClN3O3S2.2ClH/c1-10-14(6-11(19)9-26(2,22)23)25-17-13(7-15(18)21-16(10)17)20-8-12-4-3-5-24-12;;/h3-5,7,11H,6,8-9,19H2,1-2H3,(H,20,21);2*1H/t11-;;/m1../s1
• InChIKey: XSMZMVSPTAZJNA-NVJADKKVSA-N
• XLogP: 4.22
• TPSA: 98.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.87
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride?

The IUPAC name of 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride (CID 162391063) is 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride.

What is the SMILES notation for 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride?

The canonical SMILES for 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride is Cc1c(C[C@@H](N)CS(C)(=O)=O)sc2c(NCc3ccco3)cc(Cl)nc12.Cl.Cl.

What is the InChIKey of 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride?

The InChIKey is XSMZMVSPTAZJNA-NVJADKKVSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2.2ClH/c1-10-14(6-11(19)9-26(2,22)23)25-17-13(7-15(18)21-16(10)17)20-8-12-4-3-5-24-12;;/h3-5,7,11H,6,8-9,19H2,1-2H3,(H,20,21);2*1H/t11-;;/m1../s1.

What are the key properties of 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride?

2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride has a molecular weight of 486.87 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-2-amino-3-methylsulfonylpropyl]-5-chloro-N-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine;dihydrochloride is sourced from PubChem (CID 162391063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).