6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid

C10H19N3O5S — CID 54916393

IUPAC6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid
SMILESNS(=O)(=O)N1CCN(C(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C10H19N3O5S/c11-19(17,18)13-7-5-12(6-8-13)9(14)3-1-2-4-10(15)16/h1-8H2,(H,15,16)(H2,11,17,18)
InChIKeyWAQBZTQCSUSXRI-UHFFFAOYSA-N
MW293.34 g/mol
LogP-1.02
Rot. Bonds6

About 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid

6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid (PubChem CID 54916393) has the molecular formula C10H19N3O5S and a molecular weight of 293.34 g/mol. Its IUPAC name is 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid
PubChem CID54916393
Molecular FormulaC10H19N3O5S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid
SMILESNS(=O)(=O)N1CCN(C(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C10H19N3O5S/c11-19(17,18)13-7-5-12(6-8-13)9(14)3-1-2-4-10(15)16/h1-8H2,(H,15,16)(H2,11,17,18)
InChIKeyWAQBZTQCSUSXRI-UHFFFAOYSA-N
XLogP-1.02
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
CID 79191251
4-pentanoylpiperazine-1-sulfonamide
CID 61072587
4-pent-4-ynoylpiperazine-1-sulfonamide
CID 106741442
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329
6-(4-methyl-1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 43447207
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid
CID 6468063
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
7-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]heptan-1-one
CID 119678275

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid?
The IUPAC name of 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid (CID 54916393) is 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid?
The canonical SMILES for 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid is NS(=O)(=O)N1CCN(C(=O)CCCCC(=O)O)CC1.
What is the InChIKey of 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid?
The InChIKey is WAQBZTQCSUSXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5S/c11-19(17,18)13-7-5-12(6-8-13)9(14)3-1-2-4-10(15)16/h1-8H2,(H,15,16)(H2,11,17,18).
What are the key properties of 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid?
6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid has a molecular weight of 293.34 g/mol, XLogP of -1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid is sourced from PubChem (CID 54916393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).