N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C16H26ClN3O3S — CID 122501557

About N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 122501557) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 122501557
• Molecular Formula: C16H26ClN3O3S
• Molecular Weight: 375.92 g/mol
• Exact Mass: 375.14
• IUPAC Name: N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC[C@]1(NS(=O)C(C)(C)C)COc2c1cc([C@](C)(O)CN)nc2Cl
• InChI: InChI=1S/C16H26ClN3O3S/c1-6-16(20-24(22)14(2,3)4)9-23-12-10(16)7-11(19-13(12)17)15(5,21)8-18/h7,20-21H,6,8-9,18H2,1-5H3/t15-,16+,24?/m1/s1
• InChIKey: CBEFQJSWAYREGD-XETREBGKSA-N
• XLogP: 1.95
• TPSA: 97.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.92
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 122501557) is N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is CC[C@]1(NS(=O)C(C)(C)C)COc2c1cc([C@](C)(O)CN)nc2Cl.

What is the InChIKey of N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is CBEFQJSWAYREGD-XETREBGKSA-N. The full InChI is InChI=1S/C16H26ClN3O3S/c1-6-16(20-24(22)14(2,3)4)9-23-12-10(16)7-11(19-13(12)17)15(5,21)8-18/h7,20-21H,6,8-9,18H2,1-5H3/t15-,16+,24?/m1/s1.

What are the key properties of N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 375.92 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 122501557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).