2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid

C12H18N2O5S2 — CID 119200841

IUPAC2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O5S2/c1-8(10(15)14(4)12(2,3)11(16)17)13-21(18,19)9-6-5-7-20-9/h5-8,13H,1-4H3,(H,16,17)
InChIKeyBKPQGLVKBLJWFN-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.74
Rot. Bonds6

About 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid (PubChem CID 119200841) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
PubChem CID119200841
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O5S2/c1-8(10(15)14(4)12(2,3)11(16)17)13-21(18,19)9-6-5-7-20-9/h5-8,13H,1-4H3,(H,16,17)
InChIKeyBKPQGLVKBLJWFN-UHFFFAOYSA-N
XLogP0.74
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]butanoic acid
CID 119173398
2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200404
2-methyl-2-[2-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 119199790
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120886821
tert-butyl (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 81003022
2,2-dimethyl-N-[3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]phenyl]propanamide
CID 55909819
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55909310
(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
CID 61173993
4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230364
N-(2-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 110601235
N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 119387925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid (CID 119200841) is 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid is CC(NS(=O)(=O)c1cccs1)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid?
The InChIKey is BKPQGLVKBLJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-8(10(15)14(4)12(2,3)11(16)17)13-21(18,19)9-6-5-7-20-9/h5-8,13H,1-4H3,(H,16,17).
What are the key properties of 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid has a molecular weight of 334.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119200841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).