[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate

C14H20N2O3S — CID 62574037

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H20N2O3S/c15-11-7-8-20-13(11)14(18)19-9-12(17)16-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9,15H2,(H,16,17)
InChIKeyTZWGGWBUPWLDNK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.33
Rot. Bonds4

About [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate

[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate (PubChem CID 62574037) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
PubChem CID62574037
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
SMILESNc1ccsc1C(=O)OCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H20N2O3S/c15-11-7-8-20-13(11)14(18)19-9-12(17)16-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9,15H2,(H,16,17)
InChIKeyTZWGGWBUPWLDNK-UHFFFAOYSA-N
XLogP2.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 63099562
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2451959
[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
CID 61316599
2-cyclohexylethyl 3-aminothiophene-2-carboxylate
CID 114192372
3-[2-(cycloheptylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336579
[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316598
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-(azepan-1-yl)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61315453
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823
[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate (CID 62574037) is [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate is Nc1ccsc1C(=O)OCC(=O)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
The InChIKey is TZWGGWBUPWLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-11-7-8-20-13(11)14(18)19-9-12(17)16-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9,15H2,(H,16,17).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate?
[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 62574037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).