4-(4-hydroxybutanoyl)piperazine-1-sulfonamide

C8H17N3O4S — CID 79191251

IUPAC4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CCCO)CC1
InChIInChI=1S/C8H17N3O4S/c9-16(14,15)11-5-3-10(4-6-11)8(13)2-1-7-12/h12H,1-7H2,(H2,9,14,15)
InChIKeyZVKWBTXMKBWFPY-UHFFFAOYSA-N
MW251.31 g/mol
LogP-1.89
Rot. Bonds4

About 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide

4-(4-hydroxybutanoyl)piperazine-1-sulfonamide (PubChem CID 79191251) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
PubChem CID79191251
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CCCO)CC1
InChIInChI=1S/C8H17N3O4S/c9-16(14,15)11-5-3-10(4-6-11)8(13)2-1-7-12/h12H,1-7H2,(H2,9,14,15)
InChIKeyZVKWBTXMKBWFPY-UHFFFAOYSA-N
XLogP-1.89
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pentanoylpiperazine-1-sulfonamide
CID 61072587
6-oxo-6-(4-sulfamoylpiperazin-1-yl)hexanoic acid
CID 54916393
4-pent-4-ynoylpiperazine-1-sulfonamide
CID 106741442
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794
1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one
CID 79191284
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
CID 113235213
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
5,5-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)hexan-1-one
CID 130266325
1-(4-cyclopropylpiperazin-1-yl)-5-hydroxypentan-1-one
CID 79199162

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide (CID 79191251) is 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)CCCO)CC1.
What is the InChIKey of 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide?
The InChIKey is ZVKWBTXMKBWFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c9-16(14,15)11-5-3-10(4-6-11)8(13)2-1-7-12/h12H,1-7H2,(H2,9,14,15).
What are the key properties of 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide?
4-(4-hydroxybutanoyl)piperazine-1-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of -1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 79191251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).