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'} |
|---|
Analyze 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 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
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).