N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C12H17N3O3S3 — CID 106383944

About N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106383944) has the molecular formula C12H17N3O3S3 and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

• Compound Name: N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
• PubChem CID: 106383944
• Molecular Formula: C12H17N3O3S3
• Molecular Weight: 347.49 g/mol
• Exact Mass: 347.04
• IUPAC Name: N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
• SMILES: CC(C)NCc1sccc1S(=O)(=O)NCc1csc(=O)[nH]1
• InChI: InChI=1S/C12H17N3O3S3/c1-8(2)13-6-10-11(3-4-19-10)21(17,18)14-5-9-7-20-12(16)15-9/h3-4,7-8,13-14H,5-6H2,1-2H3,(H,15,16)
• InChIKey: IZTATHCEYRNPIZ-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 91.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.49
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?

The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106383944) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?

The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CC(C)NCc1sccc1S(=O)(=O)NCc1csc(=O)[nH]1.

What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?

The InChIKey is IZTATHCEYRNPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S3/c1-8(2)13-6-10-11(3-4-19-10)21(17,18)14-5-9-7-20-12(16)15-9/h3-4,7-8,13-14H,5-6H2,1-2H3,(H,15,16).

What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 347.49 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106383944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).