4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid

C12H16N2O6S2 — CID 119240076

IUPAC4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H16N2O6S2/c1-8(13-22(18,19)10-3-2-6-21-10)11(15)14-4-5-20-9(7-14)12(16)17/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,16,17)
InChIKeyAQXKUWBDHDAQPK-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.27
Rot. Bonds5

About 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid

4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid (PubChem CID 119240076) has the molecular formula C12H16N2O6S2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid
PubChem CID119240076
Molecular FormulaC12H16N2O6S2
Molecular Weight348.40 g/mol
Exact Mass348.04
IUPAC Name4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H16N2O6S2/c1-8(13-22(18,19)10-3-2-6-21-10)11(15)14-4-5-20-9(7-14)12(16)17/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,16,17)
InChIKeyAQXKUWBDHDAQPK-UHFFFAOYSA-N
XLogP-0.27
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119594615
N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119544649
2-[2-(thiophen-2-ylsulfonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196202
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119646130
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119623383
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618
2-methyl-N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]benzenesulfonamide
CID 110348278
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 60547640
4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
CID 119239024
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119662992
4-[2-(thiophen-2-ylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230364
N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide
CID 56535717

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid (CID 119240076) is 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid is CC(NS(=O)(=O)c1cccs1)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is AQXKUWBDHDAQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S2/c1-8(13-22(18,19)10-3-2-6-21-10)11(15)14-4-5-20-9(7-14)12(16)17/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid?
4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119240076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).