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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide

C38H42N10O7S4 — CID 167536963

About 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide

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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide (PubChem CID 167536963) has the molecular formula C38H42N10O7S4 and a molecular weight of 879.08 g/mol. Its IUPAC name is 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide
• PubChem CID: 167536963
• Molecular Formula: C38H42N10O7S4
• Molecular Weight: 879.08 g/mol
• Exact Mass: 878.21
• IUPAC Name: 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide
• SMILES: O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=S1(=O)CCNCC1
• InChI: InChI=1S/C19H21N5O3S2.C15H12N4O2S.C4H9NO2S/c25-18(13-4-5-13)21-19-20-17-3-1-2-15(24(17)22-19)16-7-6-14(28-16)12-23-8-10-29(26,27)11-9-23;20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9;6-8(7)3-1-5-2-4-8/h1-3,6-7,13H,4-5,8-12H2,(H,21,22,25);1-3,6-9H,4-5H2,(H,17,18,21);5H,1-4H2
• InChIKey: ARIJMADUIRFZKL-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 219.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.08
LogP ≤ 5	3.66
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 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide?

The IUPAC name of 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide (CID 167536963) is 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide?

The canonical SMILES for 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide is O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)s3)n2n1)C1CC1.O=Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)s1.O=S1(=O)CCNCC1.

What is the InChIKey of 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide?

The InChIKey is ARIJMADUIRFZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2.C15H12N4O2S.C4H9NO2S/c25-18(13-4-5-13)21-19-20-17-3-1-2-15(24(17)22-19)16-7-6-14(28-16)12-23-8-10-29(26,27)11-9-23;20-8-10-6-7-12(22-10)11-2-1-3-13-16-15(18-19(11)13)17-14(21)9-4-5-9;6-8(7)3-1-5-2-4-8/h1-3,6-7,13H,4-5,8-12H2,(H,21,22,25);1-3,6-9H,4-5H2,(H,17,18,21);5H,1-4H2.

What are the key properties of 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide?

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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide has a molecular weight of 879.08 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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]cyclopropanecarboxamide;N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167536963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).