ethyl 2-(sulfamoylamino)thiophene-3-carboxylate

C7H10N2O4S2 — CID 112573422

IUPACethyl 2-(sulfamoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NS(N)(=O)=O
InChIInChI=1S/C7H10N2O4S2/c1-2-13-7(10)5-3-4-14-6(5)9-15(8,11)12/h3-4,9H,2H2,1H3,(H2,8,11,12)
InChIKeyXQMNOCDMNUBYIW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.54
Rot. Bonds4

About ethyl 2-(sulfamoylamino)thiophene-3-carboxylate

ethyl 2-(sulfamoylamino)thiophene-3-carboxylate (PubChem CID 112573422) has the molecular formula C7H10N2O4S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-(sulfamoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(sulfamoylamino)thiophene-3-carboxylate
PubChem CID112573422
Molecular FormulaC7H10N2O4S2
Molecular Weight250.30 g/mol
Exact Mass250.01
IUPAC Nameethyl 2-(sulfamoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NS(N)(=O)=O
InChIInChI=1S/C7H10N2O4S2/c1-2-13-7(10)5-3-4-14-6(5)9-15(8,11)12/h3-4,9H,2H2,1H3,(H2,8,11,12)
InChIKeyXQMNOCDMNUBYIW-UHFFFAOYSA-N
XLogP0.54
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate
CID 61053004
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
ethyl 2-arsanylthiophene-3-carboxylate
CID 173196725
ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
CID 60717312
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
CID 62838371
ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166980
ethyl 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]thiophene-3-carboxylate
CID 79207789
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(sulfamoylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(sulfamoylamino)thiophene-3-carboxylate (CID 112573422) is ethyl 2-(sulfamoylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(sulfamoylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(sulfamoylamino)thiophene-3-carboxylate is CCOC(=O)c1ccsc1NS(N)(=O)=O.
What is the InChIKey of ethyl 2-(sulfamoylamino)thiophene-3-carboxylate?
The InChIKey is XQMNOCDMNUBYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S2/c1-2-13-7(10)5-3-4-14-6(5)9-15(8,11)12/h3-4,9H,2H2,1H3,(H2,8,11,12).
What are the key properties of ethyl 2-(sulfamoylamino)thiophene-3-carboxylate?
ethyl 2-(sulfamoylamino)thiophene-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(sulfamoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 112573422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).