N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide

C14H19N3O4S — CID 24663164

IUPACN'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H19N3O4S/c1-22(20,21)17-10-6-5-9-12(17)14(19)16-15-13(18)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyVALYAOSGPCDSMU-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.26
Rot. Bonds3

About N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide

N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide (PubChem CID 24663164) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide
PubChem CID24663164
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H19N3O4S/c1-22(20,21)17-10-6-5-9-12(17)14(19)16-15-13(18)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyVALYAOSGPCDSMU-UHFFFAOYSA-N
XLogP0.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzhydrylideneamino)-1-methylsulfonylpiperidine-2-carboxamide
CID 75362387
3-ethyl-N'-(1-methylsulfonylpiperidine-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 16580980
N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 51111295
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 51240572

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide?
The IUPAC name of N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide (CID 24663164) is N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide is CS(=O)(=O)N1CCCCC1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide?
The InChIKey is VALYAOSGPCDSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-22(20,21)17-10-6-5-9-12(17)14(19)16-15-13(18)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide?
N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide has a molecular weight of 325.39 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-methylsulfonylpiperidine-2-carbohydrazide is sourced from PubChem (CID 24663164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).