5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide

C12H17N5O2S2 — CID 106093537

About 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106093537) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

• Compound Name: 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
• PubChem CID: 106093537
• Molecular Formula: C12H17N5O2S2
• Molecular Weight: 327.44 g/mol
• Exact Mass: 327.08
• IUPAC Name: 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
• SMILES: Cn1cnc(CNS(=O)(=O)c2csc(CNC3CC3)c2)n1
• InChI: InChI=1S/C12H17N5O2S2/c1-17-8-14-12(16-17)6-15-21(18,19)11-4-10(20-7-11)5-13-9-2-3-9/h4,7-9,13,15H,2-3,5-6H2,1H3
• InChIKey: XAWAKSMIJXKFPU-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.44
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?

The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (CID 106093537) is 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.

What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?

The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is Cn1cnc(CNS(=O)(=O)c2csc(CNC3CC3)c2)n1.

What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?

The InChIKey is XAWAKSMIJXKFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-17-8-14-12(16-17)6-15-21(18,19)11-4-10(20-7-11)5-13-9-2-3-9/h4,7-9,13,15H,2-3,5-6H2,1H3.

What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?

5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106093537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).