ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate

C13H24N2O3S — CID 107144406

IUPACethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate
SMILESCCCC[C@H](N)C(=O)N1CCSCC1C(=O)OCC
InChIInChI=1S/C13H24N2O3S/c1-3-5-6-10(14)12(16)15-7-8-19-9-11(15)13(17)18-4-2/h10-11H,3-9,14H2,1-2H3/t10-,11?/m0/s1
InChIKeyBCZDBVIZNQJWDI-VUWPPUDQSA-N
MW288.41 g/mol
LogP1.01
Rot. Bonds6

About ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate

ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate (PubChem CID 107144406) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate
PubChem CID107144406
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Nameethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate
SMILESCCCC[C@H](N)C(=O)N1CCSCC1C(=O)OCC
InChIInChI=1S/C13H24N2O3S/c1-3-5-6-10(14)12(16)15-7-8-19-9-11(15)13(17)18-4-2/h10-11H,3-9,14H2,1-2H3/t10-,11?/m0/s1
InChIKeyBCZDBVIZNQJWDI-VUWPPUDQSA-N
XLogP1.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate (CID 107144406) is ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate is CCCC[C@H](N)C(=O)N1CCSCC1C(=O)OCC.
What is the InChIKey of ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate?
The InChIKey is BCZDBVIZNQJWDI-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-5-6-10(14)12(16)15-7-8-19-9-11(15)13(17)18-4-2/h10-11H,3-9,14H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate?
ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate has a molecular weight of 288.41 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-2-aminohexanoyl]thiomorpholine-3-carboxylate is sourced from PubChem (CID 107144406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).