1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide

C15H23N3O3S — CID 126797972

IUPAC1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NN(C)c2ccccc2)C1
InChIInChI=1S/C15H23N3O3S/c1-3-22(20,21)18-11-7-8-13(12-18)15(19)16-17(2)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,16,19)
InChIKeyUIBHNGMAUXILPP-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.22
Rot. Bonds5

About 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide

1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide (PubChem CID 126797972) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide
PubChem CID126797972
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NN(C)c2ccccc2)C1
InChIInChI=1S/C15H23N3O3S/c1-3-22(20,21)18-11-7-8-13(12-18)15(19)16-17(2)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,16,19)
InChIKeyUIBHNGMAUXILPP-UHFFFAOYSA-N
XLogP1.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
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',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
(3S)-1-ethylsulfonyl-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 94782843
N'-benzyl-N'-phenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55753038
N-[3-(N-methylanilino)propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 3242399
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
(3R)-1-ethylsulfonyl-N-(2-methyl-1-phenylpropan-2-yl)piperidine-3-carboxamide
CID 95875273
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide?
The IUPAC name of 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide (CID 126797972) is 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide.
What is the SMILES notation for 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide?
The canonical SMILES for 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide is CCS(=O)(=O)N1CCCC(C(=O)NN(C)c2ccccc2)C1.
What is the InChIKey of 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide?
The InChIKey is UIBHNGMAUXILPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-22(20,21)18-11-7-8-13(12-18)15(19)16-17(2)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,16,19).
What are the key properties of 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide?
1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide has a molecular weight of 325.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N'-methyl-N'-phenylpiperidine-3-carbohydrazide is sourced from PubChem (CID 126797972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).