(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

C13H19BrN3O3S+ — CID 9025380

IUPAC(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SMILESC[C@@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C13H18BrN3O3S/c1-10(13(15)18)16-5-7-17(8-6-16)21(19,20)12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H2,15,18)/p+1/t10-/m0/s1
InChIKeyXAOANPQZBZLCAC-JTQLQIEISA-O
MW377.28 g/mol
LogP-0.79
Rot. Bonds4

About (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide (PubChem CID 9025380) has the molecular formula C13H19BrN3O3S+ and a molecular weight of 377.28 g/mol. Its IUPAC name is (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
PubChem CID9025380
Molecular FormulaC13H19BrN3O3S+
Molecular Weight377.28 g/mol
Exact Mass376.03
IUPAC Name(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SMILESC[C@@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C13H18BrN3O3S/c1-10(13(15)18)16-5-7-17(8-6-16)21(19,20)12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H2,15,18)/p+1/t10-/m0/s1
InChIKeyXAOANPQZBZLCAC-JTQLQIEISA-O
XLogP-0.79
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8747111
(2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanamide
CID 9257890
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylpropanamide
CID 60516391
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8749217
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8748349
4-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34691733
4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534495
(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8730579
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 60641755
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
(2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 8692524
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide (CID 9025380) is (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide is C[C@@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The InChIKey is XAOANPQZBZLCAC-JTQLQIEISA-O. The full InChI is InChI=1S/C13H18BrN3O3S/c1-10(13(15)18)16-5-7-17(8-6-16)21(19,20)12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3,(H2,15,18)/p+1/t10-/m0/s1.
What are the key properties of (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide has a molecular weight of 377.28 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 9025380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).