4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide

C13H20N4O3S — CID 61041324

IUPAC4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
SMILESNC(CC(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C13H20N4O3S/c14-12(11-4-2-1-3-5-11)10-13(18)16-6-8-17(9-7-16)21(15,19)20/h1-5,12H,6-10,14H2,(H2,15,19,20)
InChIKeyJSAWQKGOXOAQFK-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.58
Rot. Bonds4

About 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide

4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide (PubChem CID 61041324) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
PubChem CID61041324
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
SMILESNC(CC(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C13H20N4O3S/c14-12(11-4-2-1-3-5-11)10-13(18)16-6-8-17(9-7-16)21(15,19)20/h1-5,12H,6-10,14H2,(H2,15,19,20)
InChIKeyJSAWQKGOXOAQFK-UHFFFAOYSA-N
XLogP-0.58
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119949792
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731
3-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954098
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949791
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-amino-3-phenylpropan-1-one;hydrochloride
CID 119951607
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63633887

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide (CID 61041324) is 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide is NC(CC(=O)N1CCN(S(N)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide?
The InChIKey is JSAWQKGOXOAQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c14-12(11-4-2-1-3-5-11)10-13(18)16-6-8-17(9-7-16)21(15,19)20/h1-5,12H,6-10,14H2,(H2,15,19,20).
What are the key properties of 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide?
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61041324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).