4-pent-4-ynoylpiperazine-1-sulfonamide

C9H15N3O3S — CID 106741442

IUPAC4-pent-4-ynoylpiperazine-1-sulfonamide
SMILESC#CCCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H15N3O3S/c1-2-3-4-9(13)11-5-7-12(8-6-11)16(10,14)15/h1H,3-8H2,(H2,10,14,15)
InChIKeyXOLIUTJZTKXJKM-UHFFFAOYSA-N
MW245.30 g/mol
LogP-1.25
Rot. Bonds3

About 4-pent-4-ynoylpiperazine-1-sulfonamide

4-pent-4-ynoylpiperazine-1-sulfonamide (PubChem CID 106741442) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-pent-4-ynoylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-pent-4-ynoylpiperazine-1-sulfonamide
PubChem CID106741442
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name4-pent-4-ynoylpiperazine-1-sulfonamide
SMILESC#CCCC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H15N3O3S/c1-2-3-4-9(13)11-5-7-12(8-6-11)16(10,14)15/h1H,3-8H2,(H2,10,14,15)
InChIKeyXOLIUTJZTKXJKM-UHFFFAOYSA-N
XLogP-1.25
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
CID 79191251
4-pentanoylpiperazine-1-sulfonamide
CID 61072587
6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid
CID 54916393
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
1-pent-4-ynoylpiperidine-4-carboxylic acid
CID 103840880
1-pent-4-ynoylpiperidin-4-one
CID 131153334
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
1-(3-hydroxy-5-methylpiperidin-1-yl)pent-4-yn-1-one
CID 130987806
1-[3-(aminomethyl)pyrrolidin-1-yl]pent-4-yn-1-one
CID 103840848
1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130660557

Frequently Asked Questions

What is the IUPAC name of 4-pent-4-ynoylpiperazine-1-sulfonamide?
The IUPAC name of 4-pent-4-ynoylpiperazine-1-sulfonamide (CID 106741442) is 4-pent-4-ynoylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-pent-4-ynoylpiperazine-1-sulfonamide?
The canonical SMILES for 4-pent-4-ynoylpiperazine-1-sulfonamide is C#CCCC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-pent-4-ynoylpiperazine-1-sulfonamide?
The InChIKey is XOLIUTJZTKXJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-2-3-4-9(13)11-5-7-12(8-6-11)16(10,14)15/h1H,3-8H2,(H2,10,14,15).
What are the key properties of 4-pent-4-ynoylpiperazine-1-sulfonamide?
4-pent-4-ynoylpiperazine-1-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-ynoylpiperazine-1-sulfonamide is sourced from PubChem (CID 106741442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).