[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate

C11H10N2O3S — CID 3912539

IUPAC[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESN#Cc1ccsc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C11H10N2O3S/c12-5-8-3-4-17-10(8)13-9(14)6-16-11(15)7-1-2-7/h3-4,7H,1-2,6H2,(H,13,14)
InChIKeySOSBAUDVPHFVJU-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.51
Rot. Bonds4

About [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 3912539) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID3912539
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESN#Cc1ccsc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C11H10N2O3S/c12-5-8-3-4-17-10(8)13-9(14)6-16-11(15)7-1-2-7/h3-4,7H,1-2,6H2,(H,13,14)
InChIKeySOSBAUDVPHFVJU-UHFFFAOYSA-N
XLogP1.51
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697703
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381686
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065810
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 29331188
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 32502846
methyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742622
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8552867
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (3R,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 2417625
ethyl 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 4832658
ethyl (3S)-1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 2540011

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate (CID 3912539) is [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate is N#Cc1ccsc1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is SOSBAUDVPHFVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c12-5-8-3-4-17-10(8)13-9(14)6-16-11(15)7-1-2-7/h3-4,7H,1-2,6H2,(H,13,14).
What are the key properties of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 3912539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).