methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate

C10H16N2O5S2 — CID 54949213

About methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate

methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate (PubChem CID 54949213) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
• PubChem CID: 54949213
• Molecular Formula: C10H16N2O5S2
• Molecular Weight: 308.38 g/mol
• Exact Mass: 308.05
• IUPAC Name: methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate
• SMILES: COC(=O)C(C)CN(C)S(=O)(=O)c1sc(=O)[nH]c1C
• InChI: InChI=1S/C10H16N2O5S2/c1-6(8(13)17-4)5-12(3)19(15,16)9-7(2)11-10(14)18-9/h6H,5H2,1-4H3,(H,11,14)
• InChIKey: BGUQOTJCHCYTMC-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 96.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.38
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?

The IUPAC name of methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate (CID 54949213) is methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate.

What is the SMILES notation for methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?

The canonical SMILES for methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate is COC(=O)C(C)CN(C)S(=O)(=O)c1sc(=O)[nH]c1C.

What is the InChIKey of methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?

The InChIKey is BGUQOTJCHCYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-6(8(13)17-4)5-12(3)19(15,16)9-7(2)11-10(14)18-9/h6H,5H2,1-4H3,(H,11,14).

What are the key properties of methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate?

methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate has a molecular weight of 308.38 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoate is sourced from PubChem (CID 54949213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).