6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid

C9H15N3O4S — CID 102690634

IUPAC6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O4S/c13-9(14)4-2-1-3-6-11-17(15,16)8-5-7-10-12-8/h5,7,11H,1-4,6H2,(H,10,12)(H,13,14)
InChIKeyUCARQZYIPRUHFI-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.33
Rot. Bonds8

About 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid

6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid (PubChem CID 102690634) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid
PubChem CID102690634
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O4S/c13-9(14)4-2-1-3-6-11-17(15,16)8-5-7-10-12-8/h5,7,11H,1-4,6H2,(H,10,12)(H,13,14)
InChIKeyUCARQZYIPRUHFI-UHFFFAOYSA-N
XLogP0.33
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid?
The IUPAC name of 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid (CID 102690634) is 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid.
What is the SMILES notation for 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid?
The canonical SMILES for 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid is O=C(O)CCCCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid?
The InChIKey is UCARQZYIPRUHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c13-9(14)4-2-1-3-6-11-17(15,16)8-5-7-10-12-8/h5,7,11H,1-4,6H2,(H,10,12)(H,13,14).
What are the key properties of 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid?
6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid is sourced from PubChem (CID 102690634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).