4-(3-aminobutanoyl)piperazine-1-sulfonamide

C8H18N4O3S — CID 61042216

IUPAC4-(3-aminobutanoyl)piperazine-1-sulfonamide
SMILESCC(N)CC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H18N4O3S/c1-7(9)6-8(13)11-2-4-12(5-3-11)16(10,14)15/h7H,2-6,9H2,1H3,(H2,10,14,15)
InChIKeyWNSSWHHFCBJAEA-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.93
Rot. Bonds3

About 4-(3-aminobutanoyl)piperazine-1-sulfonamide

4-(3-aminobutanoyl)piperazine-1-sulfonamide (PubChem CID 61042216) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(3-aminobutanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminobutanoyl)piperazine-1-sulfonamide
PubChem CID61042216
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC Name4-(3-aminobutanoyl)piperazine-1-sulfonamide
SMILESCC(N)CC(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H18N4O3S/c1-7(9)6-8(13)11-2-4-12(5-3-11)16(10,14)15/h7H,2-6,9H2,1H3,(H2,10,14,15)
InChIKeyWNSSWHHFCBJAEA-UHFFFAOYSA-N
XLogP-1.93
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678794
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
3-amino-1-thiomorpholin-4-ylbutan-1-one
CID 60835990
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329
3-amino-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678846
3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
CID 119685697
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
4-[(2S)-2-amino-4-methylpentanoyl]piperazine-1-sulfonamide
CID 61157441
3-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119694733
4-pentanoylpiperazine-1-sulfonamide
CID 61072587

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-aminobutanoyl)piperazine-1-sulfonamide (CID 61042216) is 4-(3-aminobutanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-aminobutanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-aminobutanoyl)piperazine-1-sulfonamide is CC(N)CC(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(3-aminobutanoyl)piperazine-1-sulfonamide?
The InChIKey is WNSSWHHFCBJAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-7(9)6-8(13)11-2-4-12(5-3-11)16(10,14)15/h7H,2-6,9H2,1H3,(H2,10,14,15).
What are the key properties of 4-(3-aminobutanoyl)piperazine-1-sulfonamide?
4-(3-aminobutanoyl)piperazine-1-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of -1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61042216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).