N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide

C19H37N7O2S2 — CID 140884854

About N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide

N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide (PubChem CID 140884854) has the molecular formula C19H37N7O2S2 and a molecular weight of 459.69 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide
• PubChem CID: 140884854
• Molecular Formula: C19H37N7O2S2
• Molecular Weight: 459.69 g/mol
• Exact Mass: 459.25
• IUPAC Name: N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide
• SMILES: CC1NNC(N2C(CC3CNN(C)C3)NC3CCC(S(=O)(=O)NC4(C)CC4)CC32)S1
• InChI: InChI=1S/C19H37N7O2S2/c1-12-22-23-18(29-12)26-16-9-14(30(27,28)24-19(2)6-7-19)4-5-15(16)21-17(26)8-13-10-20-25(3)11-13/h12-18,20-24H,4-11H2,1-3H3
• InChIKey: FGYGRMOBVPFBPM-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 100.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.69
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide?

The IUPAC name of N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide (CID 140884854) is N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide.

What is the SMILES notation for N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide?

The canonical SMILES for N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide is CC1NNC(N2C(CC3CNN(C)C3)NC3CCC(S(=O)(=O)NC4(C)CC4)CC32)S1.

What is the InChIKey of N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide?

The InChIKey is FGYGRMOBVPFBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N7O2S2/c1-12-22-23-18(29-12)26-16-9-14(30(27,28)24-19(2)6-7-19)4-5-15(16)21-17(26)8-13-10-20-25(3)11-13/h12-18,20-24H,4-11H2,1-3H3.

What are the key properties of N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide?

N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide has a molecular weight of 459.69 g/mol, XLogP of -0.09, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methylcyclopropyl)-2-[(1-methylpyrazolidin-4-yl)methyl]-3-(5-methyl-1,3,4-thiadiazolidin-2-yl)-1,2,3a,4,5,6,7,7a-octahydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 140884854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).