2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid

C11H16N2O5S2 — CID 62626367

IUPAC2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H16N2O5S2/c1-8(11(15)16)13(2)9(14)5-6-12-20(17,18)10-4-3-7-19-10/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyFRTZKOXHVFLGIL-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.35
Rot. Bonds7

About 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid

2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid (PubChem CID 62626367) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
PubChem CID62626367
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H16N2O5S2/c1-8(11(15)16)13(2)9(14)5-6-12-20(17,18)10-4-3-7-19-10/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyFRTZKOXHVFLGIL-UHFFFAOYSA-N
XLogP0.35
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 61007151
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836966
3-methyl-4-[3-(thiophen-2-ylsulfonylamino)propanoylamino]butanoic acid
CID 81065023
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
4,4-dimethyl-6-(thiophen-2-ylsulfonylamino)hexanoic acid
CID 65285268
N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058664
2-[3-(benzenesulfonyl)propanoyl-methylamino]propanoic acid
CID 62627813

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid (CID 62626367) is 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)CCNS(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid?
The InChIKey is FRTZKOXHVFLGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-8(11(15)16)13(2)9(14)5-6-12-20(17,18)10-4-3-7-19-10/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid?
2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 62626367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).