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

C16H23ClF3N3O3S — CID 122503043

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

N-[(3R)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 122503043) has the molecular formula C16H23ClF3N3O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is N-[(3R)-5-[(2R)-3-amino-1,1,1-trifluoro-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)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 122503043
• Molecular Formula: C16H23ClF3N3O3S
• Molecular Weight: 429.89 g/mol
• Exact Mass: 429.11
• IUPAC Name: N-[(3R)-5-[(2R)-3-amino-1,1,1-trifluoro-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@](O)(CN)C(F)(F)F)nc2Cl
• InChI: InChI=1S/C16H23ClF3N3O3S/c1-5-14(23-27(25)13(2,3)4)8-26-11-9(14)6-10(22-12(11)17)15(24,7-21)16(18,19)20/h6,23-24H,5,7-8,21H2,1-4H3/t14-,15+,27?/m0/s1
• InChIKey: CTHHRRWSPPUUGQ-OOSQJYBCSA-N
• XLogP: 2.49
• TPSA: 97.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.89
LogP ≤ 5	2.49
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)-3-amino-1,1,1-trifluoro-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)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 122503043) is N-[(3R)-5-[(2R)-3-amino-1,1,1-trifluoro-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)-3-amino-1,1,1-trifluoro-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)-3-amino-1,1,1-trifluoro-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@](O)(CN)C(F)(F)F)nc2Cl.

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

The InChIKey is CTHHRRWSPPUUGQ-OOSQJYBCSA-N. The full InChI is InChI=1S/C16H23ClF3N3O3S/c1-5-14(23-27(25)13(2,3)4)8-26-11-9(14)6-10(22-12(11)17)15(24,7-21)16(18,19)20/h6,23-24H,5,7-8,21H2,1-4H3/t14-,15+,27?/m0/s1.

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

N-[(3R)-5-[(2R)-3-amino-1,1,1-trifluoro-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 429.89 g/mol, XLogP of 2.49, 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)-3-amino-1,1,1-trifluoro-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 122503043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).