(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide

C17H26N3O4S+ — CID 9493018

IUPAC(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)25(22,23)16-7-5-15(24-3)6-8-16/h4-8,14H,1,9-13H2,2-3H3,(H,18,21)/p+1/t14-/m1/s1
InChIKeyMAXITDDTLPHDPP-CQSZACIVSA-O
MW368.48 g/mol
LogP-0.72
Rot. Bonds7

About (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide

(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide (PubChem CID 9493018) has the molecular formula C17H26N3O4S+ and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
PubChem CID9493018
Molecular FormulaC17H26N3O4S+
Molecular Weight368.48 g/mol
Exact Mass368.16
IUPAC Name(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)25(22,23)16-7-5-15(24-3)6-8-16/h4-8,14H,1,9-13H2,2-3H3,(H,18,21)/p+1/t14-/m1/s1
InChIKeyMAXITDDTLPHDPP-CQSZACIVSA-O
XLogP-0.72
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide 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

(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
CID 9493105
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
CID 9493174
(2S)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide
CID 9493299
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9493902
(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide
CID 9493110
(3R)-1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 9207700
(2R)-N-(2-methoxyethyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9493851
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide
CID 9493181
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 8991866
(2S)-N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide
CID 8746180

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide (CID 9493018) is (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is MAXITDDTLPHDPP-CQSZACIVSA-O. The full InChI is InChI=1S/C17H25N3O4S/c1-4-9-18-17(21)14(2)19-10-12-20(13-11-19)25(22,23)16-7-5-15(24-3)6-8-16/h4-8,14H,1,9-13H2,2-3H3,(H,18,21)/p+1/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide?
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 368.48 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 9493018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).