methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate

C12H19N3O4S — CID 62004938

IUPACmethyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate
SMILESCCCC(C)(Nc1ccc(S(N)(=O)=O)cn1)C(=O)OC
InChIInChI=1S/C12H19N3O4S/c1-4-7-12(2,11(16)19-3)15-10-6-5-9(8-14-10)20(13,17)18/h5-6,8H,4,7H2,1-3H3,(H,14,15)(H2,13,17,18)
InChIKeyLVZLFKZHGWLZRK-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.87
Rot. Bonds6

About methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate

methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate (PubChem CID 62004938) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate
PubChem CID62004938
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate
SMILESCCCC(C)(Nc1ccc(S(N)(=O)=O)cn1)C(=O)OC
InChIInChI=1S/C12H19N3O4S/c1-4-7-12(2,11(16)19-3)15-10-6-5-9(8-14-10)20(13,17)18/h5-6,8H,4,7H2,1-3H3,(H,14,15)(H2,13,17,18)
InChIKeyLVZLFKZHGWLZRK-UHFFFAOYSA-N
XLogP0.87
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate (CID 62004938) is methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate is CCCC(C)(Nc1ccc(S(N)(=O)=O)cn1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate?
The InChIKey is LVZLFKZHGWLZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-4-7-12(2,11(16)19-3)15-10-6-5-9(8-14-10)20(13,17)18/h5-6,8H,4,7H2,1-3H3,(H,14,15)(H2,13,17,18).
What are the key properties of methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate?
methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate has a molecular weight of 301.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(5-sulfamoyl-2-pyridinyl)amino]pentanoate is sourced from PubChem (CID 62004938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).