2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid

C10H15NO4S2 — CID 62637176

IUPAC2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid
SMILESCCc1ccc(S(=O)(=O)N(C)C(C)C(=O)O)s1
InChIInChI=1S/C10H15NO4S2/c1-4-8-5-6-9(16-8)17(14,15)11(3)7(2)10(12)13/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyZNOTUOFDAFPOMK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.40
Rot. Bonds5

About 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid

2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid (PubChem CID 62637176) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid
PubChem CID62637176
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid
SMILESCCc1ccc(S(=O)(=O)N(C)C(C)C(=O)O)s1
InChIInChI=1S/C10H15NO4S2/c1-4-8-5-6-9(16-8)17(14,15)11(3)7(2)10(12)13/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyZNOTUOFDAFPOMK-UHFFFAOYSA-N
XLogP1.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928228
5-ethyl-N,N-bis(2-methylpropyl)thiophene-2-sulfonamide
CID 60530858
4-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 104698282
5-ethyl-N-(3-hydroxypropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 54947843
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
5-ethyl-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 107202942
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112666962
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
CID 54999328
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid (CID 62637176) is 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid is CCc1ccc(S(=O)(=O)N(C)C(C)C(=O)O)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid?
The InChIKey is ZNOTUOFDAFPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-4-8-5-6-9(16-8)17(14,15)11(3)7(2)10(12)13/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid?
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]propanoic acid is sourced from PubChem (CID 62637176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).