ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate

C11H17NO4S2 — CID 47072937

IUPACethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C11H17NO4S2/c1-5-16-11(13)8(3)12-18(14,15)10-6-7(2)17-9(10)4/h6,8,12H,5H2,1-4H3
InChIKeyAREZGAPNTDWPJP-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.59
Rot. Bonds5

About ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate

ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate (PubChem CID 47072937) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
PubChem CID47072937
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Nameethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C11H17NO4S2/c1-5-16-11(13)8(3)12-18(14,15)10-6-7(2)17-9(10)4/h6,8,12H,5H2,1-4H3
InChIKeyAREZGAPNTDWPJP-UHFFFAOYSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-3-methylpentanamide
CID 78797888
4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909
ethyl 2-[(2-amino-4-methylphenyl)sulfonylamino]propanoate
CID 61498584
ethyl 2-[(4-amino-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 79588437
ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 61498588
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933846
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014
4-chloro-3-[(1-ethoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 61498814
(2S)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104935690
(2R)-2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 104936097
ethyl 2-[(3-amino-5-methylphenyl)sulfonylamino]propanoate
CID 61498508
N-(2-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64542146

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate?
The IUPAC name of ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate (CID 47072937) is ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate is CCOC(=O)C(C)NS(=O)(=O)c1cc(C)sc1C.
What is the InChIKey of ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate?
The InChIKey is AREZGAPNTDWPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-5-16-11(13)8(3)12-18(14,15)10-6-7(2)17-9(10)4/h6,8,12H,5H2,1-4H3.
What are the key properties of ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate?
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate has a molecular weight of 291.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate is sourced from PubChem (CID 47072937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).