ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate

C10H14BrNO4S2 — CID 61069107

IUPACethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO4S2/c1-3-12(7-9(13)16-4-2)18(14,15)10-8(11)5-6-17-10/h5-6H,3-4,7H2,1-2H3
InChIKeyZIPUJQOXZQAKBA-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.08
Rot. Bonds6

About ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate

ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate (PubChem CID 61069107) has the molecular formula C10H14BrNO4S2 and a molecular weight of 356.26 g/mol. Its IUPAC name is ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
PubChem CID61069107
Molecular FormulaC10H14BrNO4S2
Molecular Weight356.26 g/mol
Exact Mass354.95
IUPAC Nameethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO4S2/c1-3-12(7-9(13)16-4-2)18(14,15)10-8(11)5-6-17-10/h5-6H,3-4,7H2,1-2H3
InChIKeyZIPUJQOXZQAKBA-UHFFFAOYSA-N
XLogP2.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[[(5-Bromothien-2-yl)sulfonyl](methyl)amino]-acetic acid
CID 4084133
2-[(3-Bromothiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257991
Ethyl 2-[thiophen-3-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetate
CID 167813321
N-(5-bromothien-2-ylsulfonyl)glycine ethyl ester
CID 19681623
Methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
Tert-butyl 2-[tert-butyl-(4,5-dibromothiophen-2-yl)sulfonylamino]acetate
CID 3390802
Methyl 2-[(4,5-dibromothiophen-2-yl)sulfonyl-methylamino]acetate
CID 3706981
Ethyl 2-[(4,5-dibromothiophen-2-yl)sulfonylamino]acetate
CID 3759616
Methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate
CID 3825208
5-bromo-N,N-bis(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3827966
2-[(5-Bromothiophen-2-yl)sulfonyl-methylamino]acetate
CID 4084132
Methyl 2-[(2-methoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]acetate
CID 4657738

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate (CID 61069107) is ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate is CCOC(=O)CN(CC)S(=O)(=O)c1sccc1Br.
What is the InChIKey of ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate?
The InChIKey is ZIPUJQOXZQAKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S2/c1-3-12(7-9(13)16-4-2)18(14,15)10-8(11)5-6-17-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate?
ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate has a molecular weight of 356.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate is sourced from PubChem (CID 61069107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).