methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate

C15H17N3O4S — CID 171784762

IUPACmethyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N
InChIInChI=1S/C15H17N3O4S/c1-9(2)23(20,21)11-6-4-10(5-7-11)12-8-17-14(16)13(18-12)15(19)22-3/h4-9H,1-3H3,(H2,16,17)
InChIKeyZEMBNYOGULJMCI-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.69
Rot. Bonds4

About methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate

methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate (PubChem CID 171784762) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate
PubChem CID171784762
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N
InChIInChI=1S/C15H17N3O4S/c1-9(2)23(20,21)11-6-4-10(5-7-11)12-8-17-14(16)13(18-12)15(19)22-3/h4-9H,1-3H3,(H2,16,17)
InChIKeyZEMBNYOGULJMCI-UHFFFAOYSA-N
XLogP1.69
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate (CID 171784762) is methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N.
What is the InChIKey of methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate?
The InChIKey is ZEMBNYOGULJMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9(2)23(20,21)11-6-4-10(5-7-11)12-8-17-14(16)13(18-12)15(19)22-3/h4-9H,1-3H3,(H2,16,17).
What are the key properties of methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 171784762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).