(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride

C15H22ClN3O4S — CID 119269185

IUPAC(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N)CC2)cc1.Cl
InChIInChI=1S/C15H21N3O4S.ClH/c1-11(16)15(20)17-7-9-18(10-8-17)23(21,22)14-5-3-13(4-6-14)12(2)19;/h3-6,11H,7-10,16H2,1-2H3;1H/t11-;/m0./s1
InChIKeyHRNSYDYKOHVLRP-MERQFXBCSA-N
MW375.88 g/mol
LogP0.49
Rot. Bonds4

About (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride

(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride (PubChem CID 119269185) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
PubChem CID119269185
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N)CC2)cc1.Cl
InChIInChI=1S/C15H21N3O4S.ClH/c1-11(16)15(20)17-7-9-18(10-8-17)23(21,22)14-5-3-13(4-6-14)12(2)19;/h3-6,11H,7-10,16H2,1-2H3;1H/t11-;/m0./s1
InChIKeyHRNSYDYKOHVLRP-MERQFXBCSA-N
XLogP0.49
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-amino-3-methoxypropan-1-one
CID 120983396
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
CID 119685697
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757
(2R)-2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119274736
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethoxypropan-1-one
CID 55686891
(2R)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8762061
4-(4-acetylphenyl)sulfonyl-N-propan-2-ylpiperazine-1-carbothioamide
CID 8677216
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 41081879
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 43102421
(2R)-2-amino-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265525
1-[4-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone;hydrochloride
CID 119685679

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride?
The IUPAC name of (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride (CID 119269185) is (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride?
The canonical SMILES for (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N)CC2)cc1.Cl.
What is the InChIKey of (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride?
The InChIKey is HRNSYDYKOHVLRP-MERQFXBCSA-N. The full InChI is InChI=1S/C15H21N3O4S.ClH/c1-11(16)15(20)17-7-9-18(10-8-17)23(21,22)14-5-3-13(4-6-14)12(2)19;/h3-6,11H,7-10,16H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride?
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-aminopropan-1-one;hydrochloride is sourced from PubChem (CID 119269185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).