2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

C11H12NO3S- — CID 7128933

IUPAC2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)C2CC2)c(C(=O)[O-])c1C
InChIInChI=1S/C11H13NO3S/c1-5-6(2)16-10(8(5)11(14)15)12-9(13)7-3-4-7/h7H,3-4H2,1-2H3,(H,12,13)(H,14,15)/p-1
InChIKeyYRMDKSOQCWUACR-UHFFFAOYSA-M
MW238.29 g/mol
LogP1.08
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate

2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 7128933) has the molecular formula C11H12NO3S- and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID7128933
Molecular FormulaC11H12NO3S-
Molecular Weight238.29 g/mol
Exact Mass238.05
IUPAC Name2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCc1sc(NC(=O)C2CC2)c(C(=O)[O-])c1C
InChIInChI=1S/C11H13NO3S/c1-5-6(2)16-10(8(5)11(14)15)12-9(13)7-3-4-7/h7H,3-4H2,1-2H3,(H,12,13)(H,14,15)/p-1
InChIKeyYRMDKSOQCWUACR-UHFFFAOYSA-M
XLogP1.08
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-hydroxyazetidine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide
CID 71915949
2-[[2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carbonyl]amino]butanoic acid
CID 82033383
methyl 4,5-dimethyl-2-(oxane-4-carbonylamino)thiophene-3-carboxylate
CID 31965251
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 17421417
[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 17423220
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 9490875
cis-(1S,2R)-2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7302818
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 55377693
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 40672158
(1R,6R)-6-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7345848
2-[[2-[tert-butyl(ethyl)azaniumyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28865553
[(2R)-1-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 11926361

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate (CID 7128933) is 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate is Cc1sc(NC(=O)C2CC2)c(C(=O)[O-])c1C.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is YRMDKSOQCWUACR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO3S/c1-5-6(2)16-10(8(5)11(14)15)12-9(13)7-3-4-7/h7H,3-4H2,1-2H3,(H,12,13)(H,14,15)/p-1.
What are the key properties of 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate?
2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 7128933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).