5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide

C18H26N6O3S2 — CID 122255149

About 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide

5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 122255149) has the molecular formula C18H26N6O3S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
• PubChem CID: 122255149
• Molecular Formula: C18H26N6O3S2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.15
• IUPAC Name: 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
• SMILES: CCc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)s1
• InChI: InChI=1S/C18H26N6O3S2/c1-2-14-5-6-16(28-14)29(25,26)19-13-15-20-17(23-7-3-4-8-23)22-18(21-15)24-9-11-27-12-10-24/h5-6,19H,2-4,7-13H2,1H3
• InChIKey: MZMDZEWUOUBREP-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 100.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide?

The IUPAC name of 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide (CID 122255149) is 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide.

What is the SMILES notation for 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide?

The canonical SMILES for 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)s1.

What is the InChIKey of 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide?

The InChIKey is MZMDZEWUOUBREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S2/c1-2-14-5-6-16(28-14)29(25,26)19-13-15-20-17(23-7-3-4-8-23)22-18(21-15)24-9-11-27-12-10-24/h5-6,19H,2-4,7-13H2,1H3.

What are the key properties of 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide?

5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 438.58 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122255149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).