methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate

C11H15N3O3S — CID 114233017

IUPACmethyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(SCC(=O)NC(C)C)n1
InChIInChI=1S/C11H15N3O3S/c1-7(2)13-9(15)6-18-10-5-12-4-8(14-10)11(16)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKeyMFLIGRUVMITTME-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.88
Rot. Bonds5

About methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate

methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate (PubChem CID 114233017) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate
PubChem CID114233017
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namemethyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(SCC(=O)NC(C)C)n1
InChIInChI=1S/C11H15N3O3S/c1-7(2)13-9(15)6-18-10-5-12-4-8(14-10)11(16)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKeyMFLIGRUVMITTME-UHFFFAOYSA-N
XLogP0.88
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate 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

Methyl 6-(2,2,2-trifluoroethylsulfinyl)pyrazine-2-carboxylate
CID 132515894
Methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate
CID 132515896
Methyl 5-(methylthio)pyrazine-2-carboxylate
CID 57827601
Methyl 5-ethylsulfanylpyrazine-2-carboxylate
CID 58448907
3-Isopropylsulfanyl-pyrazine-2-carboxylic acid methyl ester
CID 90118068
Sodium;methanethiolate;methyl 5-methylsulfanylpyrazine-2-carboxylate
CID 157150138
6-Ethylsulfanylpyrazine-2-carboxylate
CID 6946541
Ethyl 6-ethylsulfanylpyrazine-2-carboxylate
CID 12380238
Methyl 6-propylsulfanylpyrazine-2-carboxylate
CID 12380246
5-(2-Methoxyethylsulfanyl)pyrazine-2-carboxylic acid
CID 64264952
Methyl 6-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylate
CID 66449010
Methyl 6-(oxan-4-ylsulfanyl)pyrazine-2-carboxylate
CID 66449214

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate (CID 114233017) is methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate is COC(=O)c1cncc(SCC(=O)NC(C)C)n1.
What is the InChIKey of methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate?
The InChIKey is MFLIGRUVMITTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7(2)13-9(15)6-18-10-5-12-4-8(14-10)11(16)17-3/h4-5,7H,6H2,1-3H3,(H,13,15).
What are the key properties of methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate?
methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrazine-2-carboxylate is sourced from PubChem (CID 114233017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).