cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide

C38H40F2N10O7S4 — CID 167585168

About cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide

cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide (PubChem CID 167585168) has the molecular formula C38H40F2N10O7S4 and a molecular weight of 915.06 g/mol. Its IUPAC name is cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide
• PubChem CID: 167585168
• Molecular Formula: C38H40F2N10O7S4
• Molecular Weight: 915.06 g/mol
• Exact Mass: 914.19
• IUPAC Name: cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide
• SMILES: O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)[C@H]1C[C@H]1F.O=Cc1ccc(-c2cccc3nc(NC(=O)[C@H]4C[C@H]4F)nn23)s1.O=S1(=O)CCNCC1
• InChI: InChI=1S/C19H20FN5O3S2.C15H11FN4O2S.C4H9NO2S/c20-14-10-13(14)18(26)22-19-21-17-3-1-2-15(25(17)23-19)16-5-4-12(29-16)11-24-6-8-30(27,28)9-7-24;16-10-6-9(10)14(22)18-15-17-13-3-1-2-11(20(13)19-15)12-5-4-8(7-21)23-12;6-8(7)3-1-5-2-4-8/h1-5,13-14H,6-11H2,(H,22,23,26);1-5,7,9-10H,6H2,(H,18,19,22);5H,1-4H2/t13-,14+;9-,10+;/m00./s1
• InChIKey: HRYSTJISEKQNPS-XYVCUPEGSA-N
• XLogP: 3.56
• TPSA: 219.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.06
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide?

The IUPAC name of cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide (CID 167585168) is cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide?

The canonical SMILES for cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide is O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)[C@H]1C[C@H]1F.O=Cc1ccc(-c2cccc3nc(NC(=O)[C@H]4C[C@H]4F)nn23)s1.O=S1(=O)CCNCC1.

What is the InChIKey of cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide?

The InChIKey is HRYSTJISEKQNPS-XYVCUPEGSA-N. The full InChI is InChI=1S/C19H20FN5O3S2.C15H11FN4O2S.C4H9NO2S/c20-14-10-13(14)18(26)22-19-21-17-3-1-2-15(25(17)23-19)16-5-4-12(29-16)11-24-6-8-30(27,28)9-7-24;16-10-6-9(10)14(22)18-15-17-13-3-1-2-11(20(13)19-15)12-5-4-8(7-21)23-12;6-8(7)3-1-5-2-4-8/h1-5,13-14H,6-11H2,(H,22,23,26);1-5,7,9-10H,6H2,(H,18,19,22);5H,1-4H2/t13-,14+;9-,10+;/m00./s1.

What are the key properties of cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide?

cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide has a molecular weight of 915.06 g/mol, XLogP of 3.56, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167585168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).