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

C8H12N2O5S2 — CID 60989910

IUPAC3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H12N2O5S2/c1-5-7(16-8(13)9-5)17(14,15)10(2)4-3-6(11)12/h3-4H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyMKMLPEAZJHSLBH-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.16
Rot. Bonds5

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

3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid (PubChem CID 60989910) has the molecular formula C8H12N2O5S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
PubChem CID60989910
Molecular FormulaC8H12N2O5S2
Molecular Weight280.33 g/mol
Exact Mass280.02
IUPAC Name3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H12N2O5S2/c1-5-7(16-8(13)9-5)17(14,15)10(2)4-3-6(11)12/h3-4H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyMKMLPEAZJHSLBH-UHFFFAOYSA-N
XLogP-0.16
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid (CID 60989910) is 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The InChIKey is MKMLPEAZJHSLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S2/c1-5-7(16-8(13)9-5)17(14,15)10(2)4-3-6(11)12/h3-4H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid has a molecular weight of 280.33 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid is sourced from PubChem (CID 60989910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).