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

C9H15N3O4S — CID 54942208

IUPACmethyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H15N3O4S/c1-11-7-8(6-10-11)17(14,15)12(2)5-4-9(13)16-3/h6-7H,4-5H2,1-3H3
InChIKeyGIKNJHDWGDEALV-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.40
Rot. Bonds5

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

methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate (PubChem CID 54942208) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
PubChem CID54942208
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Namemethyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C9H15N3O4S/c1-11-7-8(6-10-11)17(14,15)12(2)5-4-9(13)16-3/h6-7H,4-5H2,1-3H3
InChIKeyGIKNJHDWGDEALV-UHFFFAOYSA-N
XLogP-0.40
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate (CID 54942208) is methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate?
The InChIKey is GIKNJHDWGDEALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-11-7-8(6-10-11)17(14,15)12(2)5-4-9(13)16-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate?
methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate has a molecular weight of 261.30 g/mol, XLogP of -0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]propanoate is sourced from PubChem (CID 54942208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).