ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate

C14H20N2O2S — CID 55142632

IUPACethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate
SMILESCCOC(=O)C(CCSc1ccccn1)NC1CC1
InChIInChI=1S/C14H20N2O2S/c1-2-18-14(17)12(16-11-6-7-11)8-10-19-13-5-3-4-9-15-13/h3-5,9,11-12,16H,2,6-8,10H2,1H3
InChIKeyUIBNXXGDZNTNCJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.25
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate

ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate (PubChem CID 55142632) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate
PubChem CID55142632
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Nameethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate
SMILESCCOC(=O)C(CCSc1ccccn1)NC1CC1
InChIInChI=1S/C14H20N2O2S/c1-2-18-14(17)12(16-11-6-7-11)8-10-19-13-5-3-4-9-15-13/h3-5,9,11-12,16H,2,6-8,10H2,1H3
InChIKeyUIBNXXGDZNTNCJ-UHFFFAOYSA-N
XLogP2.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide
CID 63033420
ethyl 2-(methylamino)-4-pyridin-2-ylsulfanylbutanoate
CID 55142823
ethyl 2-(cyclopropylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanoate
CID 63034367
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
ethyl 2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63033737
ethyl 2-(cyclopropylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropanoate
CID 62267879
ethyl 4-pyridin-2-ylsulfanylbutanoate
CID 66684876
ethyl 2-(cyclopropylamino)-4-(N,2-dimethylanilino)butanoate
CID 63053643
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
ethyl 2-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 104603828
ethyl 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)butanoate
CID 63040700

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate (CID 55142632) is ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate is CCOC(=O)C(CCSc1ccccn1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate?
The InChIKey is UIBNXXGDZNTNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-18-14(17)12(16-11-6-7-11)8-10-19-13-5-3-4-9-15-13/h3-5,9,11-12,16H,2,6-8,10H2,1H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate?
ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate has a molecular weight of 280.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanoate is sourced from PubChem (CID 55142632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).