4-pentanoylpiperazine-1-sulfonamide

C9H19N3O3S — CID 61072587

IUPAC4-pentanoylpiperazine-1-sulfonamide
SMILESCCCCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-2-3-4-9(13)11-5-7-12(8-6-11)16(10,14)15/h2-8H2,1H3,(H2,10,14,15)
InChIKeyADEOHQJWEBRZAL-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.48
Rot. Bonds4

About 4-pentanoylpiperazine-1-sulfonamide

4-pentanoylpiperazine-1-sulfonamide (PubChem CID 61072587) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-pentanoylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-pentanoylpiperazine-1-sulfonamide
PubChem CID61072587
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-pentanoylpiperazine-1-sulfonamide
SMILESCCCCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H19N3O3S/c1-2-3-4-9(13)11-5-7-12(8-6-11)16(10,14)15/h2-8H2,1H3,(H2,10,14,15)
InChIKeyADEOHQJWEBRZAL-UHFFFAOYSA-N
XLogP-0.48
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
CID 79191251
6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid
CID 54916393
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329
4-pent-4-ynoylpiperazine-1-sulfonamide
CID 106741442
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117

Frequently Asked Questions

What is the IUPAC name of 4-pentanoylpiperazine-1-sulfonamide?
The IUPAC name of 4-pentanoylpiperazine-1-sulfonamide (CID 61072587) is 4-pentanoylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-pentanoylpiperazine-1-sulfonamide?
The canonical SMILES for 4-pentanoylpiperazine-1-sulfonamide is CCCCC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-pentanoylpiperazine-1-sulfonamide?
The InChIKey is ADEOHQJWEBRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-2-3-4-9(13)11-5-7-12(8-6-11)16(10,14)15/h2-8H2,1H3,(H2,10,14,15).
What are the key properties of 4-pentanoylpiperazine-1-sulfonamide?
4-pentanoylpiperazine-1-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentanoylpiperazine-1-sulfonamide is sourced from PubChem (CID 61072587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).