methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate

C10H17N3O4S — CID 47305061

IUPACmethyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H17N3O4S/c1-8(10(14)17-4)6-13(3)18(15,16)9-5-11-12(2)7-9/h5,7-8H,6H2,1-4H3
InChIKeyJELRLKLBDQTYBV-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.15
Rot. Bonds5

About methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate

methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate (PubChem CID 47305061) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
PubChem CID47305061
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Namemethyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H17N3O4S/c1-8(10(14)17-4)6-13(3)18(15,16)9-5-11-12(2)7-9/h5,7-8H,6H2,1-4H3
InChIKeyJELRLKLBDQTYBV-UHFFFAOYSA-N
XLogP-0.15
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate (CID 47305061) is methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate is COC(=O)C(C)CN(C)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The InChIKey is JELRLKLBDQTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-8(10(14)17-4)6-13(3)18(15,16)9-5-11-12(2)7-9/h5,7-8H,6H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate?
methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate has a molecular weight of 275.33 g/mol, XLogP of -0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate is sourced from PubChem (CID 47305061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).