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

C9H14N2O4S2 — CID 103414208

IUPAC2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
SMILESCc1ncc(S(=O)(=O)N(C)C(C)(C)C(=O)O)s1
InChIInChI=1S/C9H14N2O4S2/c1-6-10-5-7(16-6)17(14,15)11(4)9(2,3)8(12)13/h5H,1-4H3,(H,12,13)
InChIKeyAMGIFHNOLHSARQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.94
Rot. Bonds4

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

2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid (PubChem CID 103414208) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
PubChem CID103414208
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Name2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid
SMILESCc1ncc(S(=O)(=O)N(C)C(C)(C)C(=O)O)s1
InChIInChI=1S/C9H14N2O4S2/c1-6-10-5-7(16-6)17(14,15)11(4)9(2,3)8(12)13/h5H,1-4H3,(H,12,13)
InChIKeyAMGIFHNOLHSARQ-UHFFFAOYSA-N
XLogP0.94
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid (CID 103414208) is 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid is Cc1ncc(S(=O)(=O)N(C)C(C)(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
The InChIKey is AMGIFHNOLHSARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-6-10-5-7(16-6)17(14,15)11(4)9(2,3)8(12)13/h5H,1-4H3,(H,12,13).
What are the key properties of 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid?
2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid has a molecular weight of 278.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]propanoic acid is sourced from PubChem (CID 103414208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).