ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate

C13H19N5O3S — CID 23914220

IUPACethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CSc2ncnc(N)n2)CC1
InChIInChI=1S/C13H19N5O3S/c1-2-21-11(20)9-3-5-18(6-4-9)10(19)7-22-13-16-8-15-12(14)17-13/h8-9H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyHREUSRCTTVENIW-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.35
Rot. Bonds5

About ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate (PubChem CID 23914220) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
PubChem CID23914220
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Nameethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CSc2ncnc(N)n2)CC1
InChIInChI=1S/C13H19N5O3S/c1-2-21-11(20)9-3-5-18(6-4-9)10(19)7-22-13-16-8-15-12(14)17-13/h8-9H,2-7H2,1H3,(H2,14,15,16,17)
InChIKeyHREUSRCTTVENIW-UHFFFAOYSA-N
XLogP0.35
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate
CID 7818661
ethyl 4-amino-2-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 30250164
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperidine-4-carboxylate
CID 51072373
ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 7145614
ethyl 1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxylate
CID 112778360
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
ethyl 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate
CID 4269338
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63590293
ethyl 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carboxylate
CID 864483
ethyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450854
ethyl 1-[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 55752282

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate (CID 23914220) is ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CSc2ncnc(N)n2)CC1.
What is the InChIKey of ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate?
The InChIKey is HREUSRCTTVENIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-2-21-11(20)9-3-5-18(6-4-9)10(19)7-22-13-16-8-15-12(14)17-13/h8-9H,2-7H2,1H3,(H2,14,15,16,17).
What are the key properties of ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 23914220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).