[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate

C14H19NO3S — CID 3863781

IUPAC[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
SMILESCCC(OC(=O)c1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO3S/c1-2-11(13(16)15-10-6-3-4-7-10)18-14(17)12-8-5-9-19-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyKMCWSCHMBBTIKS-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.74
Rot. Bonds5

About [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate

[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate (PubChem CID 3863781) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
PubChem CID3863781
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
SMILESCCC(OC(=O)c1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO3S/c1-2-11(13(16)15-10-6-3-4-7-10)18-14(17)12-8-5-9-19-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyKMCWSCHMBBTIKS-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 1470132
[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470115
[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3220263
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
CID 1470160
[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate
CID 3220216
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1431759
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470332
[(2S)-1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7435757
[1-(cyclopentylamino)-1-oxobutan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 6487553
[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
CID 1470140
5-oxooctan-4-yl thiophene-2-carboxylate
CID 86024125

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate (CID 3863781) is [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate is CCC(OC(=O)c1cccs1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate?
The InChIKey is KMCWSCHMBBTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-11(13(16)15-10-6-3-4-7-10)18-14(17)12-8-5-9-19-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,16).
What are the key properties of [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate?
[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 3863781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).