ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate

C16H21N5O4S — CID 129358033

IUPACethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCC(n2nnc3ccsc3c2=O)CC1
InChIInChI=1S/C16H21N5O4S/c1-3-25-15(23)10(2)17-16(24)20-7-4-11(5-8-20)21-14(22)13-12(18-19-21)6-9-26-13/h6,9-11H,3-5,7-8H2,1-2H3,(H,17,24)/t10-/m1/s1
InChIKeyZRDGUSOLOTUATF-SNVBAGLBSA-N
MW379.44 g/mol
LogP1.15
Rot. Bonds4

About ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate

ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate (PubChem CID 129358033) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate
PubChem CID129358033
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC Nameethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)N1CCC(n2nnc3ccsc3c2=O)CC1
InChIInChI=1S/C16H21N5O4S/c1-3-25-15(23)10(2)17-16(24)20-7-4-11(5-8-20)21-14(22)13-12(18-19-21)6-9-26-13/h6,9-11H,3-5,7-8H2,1-2H3,(H,17,24)/t10-/m1/s1
InChIKeyZRDGUSOLOTUATF-SNVBAGLBSA-N
XLogP1.15
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate 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 (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate (CID 129358033) is ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)N1CCC(n2nnc3ccsc3c2=O)CC1.
What is the InChIKey of ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate?
The InChIKey is ZRDGUSOLOTUATF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-3-25-15(23)10(2)17-16(24)20-7-4-11(5-8-20)21-14(22)13-12(18-19-21)6-9-26-13/h6,9-11H,3-5,7-8H2,1-2H3,(H,17,24)/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate?
ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate has a molecular weight of 379.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[4-(4-oxothieno[3,2-d]triazin-3-yl)piperidine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 129358033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).