3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid

C12H15N3O4S2 — CID 43528160

IUPAC3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C12H15N3O4S2/c1-14(7-10-3-5-20-9-10)21(18,19)11-6-13-15(8-11)4-2-12(16)17/h3,5-6,8-9H,2,4,7H2,1H3,(H,16,17)
InChIKeyDGIJLJBXJWNVFG-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.24
Rot. Bonds7

About 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43528160) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43528160
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C12H15N3O4S2/c1-14(7-10-3-5-20-9-10)21(18,19)11-6-13-15(8-11)4-2-12(16)17/h3,5-6,8-9H,2,4,7H2,1H3,(H,16,17)
InChIKeyDGIJLJBXJWNVFG-UHFFFAOYSA-N
XLogP1.24
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43528160) is 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid is CN(Cc1ccsc1)S(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DGIJLJBXJWNVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-14(7-10-3-5-20-9-10)21(18,19)11-6-13-15(8-11)4-2-12(16)17/h3,5-6,8-9H,2,4,7H2,1H3,(H,16,17).
What are the key properties of 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl(thiophen-3-ylmethyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43528160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).