ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate

C11H17NO4S2 — CID 55007949

IUPACethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C11H17NO4S2/c1-5-16-11(13)7-12(4)18(14,15)10-6-8(2)17-9(10)3/h6H,5,7H2,1-4H3
InChIKeyOPWTUDGWKLHDJQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.55
Rot. Bonds5

About ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate

ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate (PubChem CID 55007949) 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)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate
PubChem CID55007949
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Nameethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cc(C)sc1C
InChIInChI=1S/C11H17NO4S2/c1-5-16-11(13)7-12(4)18(14,15)10-6-8(2)17-9(10)3/h6H,5,7H2,1-4H3
InChIKeyOPWTUDGWKLHDJQ-UHFFFAOYSA-N
XLogP1.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
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N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide
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ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
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ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
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ethyl 2-[(2-cyanophenyl)sulfonyl-methylamino]acetate
CID 54943099
2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid
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ethyl 2-[(3-amino-2,5,6-trimethylphenyl)sulfonyl-methylamino]acetate
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CID 103171371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate?
The IUPAC name of ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate (CID 55007949) is ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate is CCOC(=O)CN(C)S(=O)(=O)c1cc(C)sc1C.
What is the InChIKey of ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate?
The InChIKey is OPWTUDGWKLHDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-5-16-11(13)7-12(4)18(14,15)10-6-8(2)17-9(10)3/h6H,5,7H2,1-4H3.
What are the key properties of ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate?
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate has a molecular weight of 291.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 55007949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).