methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate

C11H18N2O5S2 — CID 115533310

IUPACmethyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H18N2O5S2/c1-17-6-5-13(4-3-10(14)18-2)20(15,16)11-7-9(12)8-19-11/h7-8H,3-6,12H2,1-2H3
InChIKeyPAVLQEDMRBOQGG-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.53
Rot. Bonds8

About methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate

methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate (PubChem CID 115533310) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
PubChem CID115533310
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Namemethyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H18N2O5S2/c1-17-6-5-13(4-3-10(14)18-2)20(15,16)11-7-9(12)8-19-11/h7-8H,3-6,12H2,1-2H3
InChIKeyPAVLQEDMRBOQGG-UHFFFAOYSA-N
XLogP0.53
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

4-amino-N,N-bis(2-methoxyethyl)thiophene-2-sulfonamide
CID 61300165
methyl 3-[2-methoxyethyl-(5-methylthiophen-2-yl)sulfonylamino]propanoate
CID 78959599
4-amino-N,N-dibutylthiophene-2-sulfonamide
CID 61301508
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 78959091
methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methoxyethyl)amino]propanoate
CID 115533331
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529
methyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoate
CID 115536179
2-[(4-aminothiophen-2-yl)sulfonyl-butylamino]acetamide
CID 61299792
4-amino-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61301299
4-amino-N,N-bis(2-cyanoethyl)thiophene-2-sulfonamide
CID 61299610
4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 61301523

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate (CID 115533310) is methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate?
The InChIKey is PAVLQEDMRBOQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-17-6-5-13(4-3-10(14)18-2)20(15,16)11-7-9(12)8-19-11/h7-8H,3-6,12H2,1-2H3.
What are the key properties of methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate?
methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate has a molecular weight of 322.41 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-aminothiophen-2-yl)sulfonyl-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115533310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).