methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

C8H11NO4S2 — CID 3312195

IUPACmethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H11NO4S2/c1-9(6-7(10)13-2)15(11,12)8-4-3-5-14-8/h3-5H,6H2,1-2H3
InChIKeyHASOXQDHVLTFRJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.54
Rot. Bonds4

About methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (PubChem CID 3312195) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
PubChem CID3312195
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Namemethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H11NO4S2/c1-9(6-7(10)13-2)15(11,12)8-4-3-5-14-8/h3-5H,6H2,1-2H3
InChIKeyHASOXQDHVLTFRJ-UHFFFAOYSA-N
XLogP0.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560682
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100548327
(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560681
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 8943493
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 62522087
N'-hydroxy-2-[methyl(thiophen-2-ylsulfonyl)amino]ethanimidamide
CID 76928975

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (CID 3312195) is methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is COC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The InChIKey is HASOXQDHVLTFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-9(6-7(10)13-2)15(11,12)8-4-3-5-14-8/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate has a molecular weight of 249.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is sourced from PubChem (CID 3312195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).