2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide

C13H20N4O3S — CID 63574186

IUPAC2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
SMILESCS(=O)(=O)N1CCN(C(C(=O)NN)c2ccccc2)CC1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)17-9-7-16(8-10-17)12(13(18)15-14)11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H,15,18)
InChIKeyCRBVJOAULHREFR-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.71
Rot. Bonds4

About 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide

2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide (PubChem CID 63574186) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
PubChem CID63574186
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
SMILESCS(=O)(=O)N1CCN(C(C(=O)NN)c2ccccc2)CC1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)17-9-7-16(8-10-17)12(13(18)15-14)11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H,15,18)
InChIKeyCRBVJOAULHREFR-UHFFFAOYSA-N
XLogP-0.71
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,N-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetamide
CID 31873332
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
CID 63568815
2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 62992614
2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide
CID 63572788
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide
CID 107458803
(2R)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-phenylacetamide
CID 34787872
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide
CID 63584652
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 40972974
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide (CID 63574186) is 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide is CS(=O)(=O)N1CCN(C(C(=O)NN)c2ccccc2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide?
The InChIKey is CRBVJOAULHREFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(19,20)17-9-7-16(8-10-17)12(13(18)15-14)11-5-3-2-4-6-11/h2-6,12H,7-10,14H2,1H3,(H,15,18).
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide?
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide has a molecular weight of 312.39 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 63574186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).