methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate

C9H15N3O4S — CID 47268133

IUPACmethyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O4S/c1-12(5-3-4-9(13)16-2)17(14,15)8-6-10-11-7-8/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyGVSYRUUKORHVAV-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.02
Rot. Bonds6

About methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate

methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate (PubChem CID 47268133) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate
PubChem CID47268133
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Namemethyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O4S/c1-12(5-3-4-9(13)16-2)17(14,15)8-6-10-11-7-8/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyGVSYRUUKORHVAV-UHFFFAOYSA-N
XLogP-0.02
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate (CID 47268133) is methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate?
The InChIKey is GVSYRUUKORHVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-12(5-3-4-9(13)16-2)17(14,15)8-6-10-11-7-8/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate?
methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate has a molecular weight of 261.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(1H-pyrazol-4-ylsulfonyl)amino]butanoate is sourced from PubChem (CID 47268133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).