methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate

C11H19N3O4S — CID 43608048

IUPACmethyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O4S/c1-8(2)5-10(11(15)18-4)13-19(16,17)9-6-12-14(3)7-9/h6-8,10,13H,5H2,1-4H3
InChIKeyWMMQCTHYQJUSIZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.29
Rot. Bonds6

About methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate

methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate (PubChem CID 43608048) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
PubChem CID43608048
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Namemethyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O4S/c1-8(2)5-10(11(15)18-4)13-19(16,17)9-6-12-14(3)7-9/h6-8,10,13H,5H2,1-4H3
InChIKeyWMMQCTHYQJUSIZ-UHFFFAOYSA-N
XLogP0.29
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate (CID 43608048) is methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate is COC(=O)C(CC(C)C)NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate?
The InChIKey is WMMQCTHYQJUSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-8(2)5-10(11(15)18-4)13-19(16,17)9-6-12-14(3)7-9/h6-8,10,13H,5H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate?
methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate has a molecular weight of 289.36 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoate is sourced from PubChem (CID 43608048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).