ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate

C17H27N5O4S — CID 8900489

IUPACethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNc2ccc(S(=O)(=O)N(CC)CC)cn2)CC1
InChIInChI=1S/C17H27N5O4S/c1-4-22(5-2)27(24,25)15-7-8-16(18-13-15)20-19-14-9-11-21(12-10-14)17(23)26-6-3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,20)
InChIKeyHWFDGQNZSNXZCK-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.13
Rot. Bonds7

About ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate

ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate (PubChem CID 8900489) has the molecular formula C17H27N5O4S and a molecular weight of 397.50 g/mol. Its IUPAC name is ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
PubChem CID8900489
Molecular FormulaC17H27N5O4S
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Nameethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNc2ccc(S(=O)(=O)N(CC)CC)cn2)CC1
InChIInChI=1S/C17H27N5O4S/c1-4-22(5-2)27(24,25)15-7-8-16(18-13-15)20-19-14-9-11-21(12-10-14)17(23)26-6-3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,20)
InChIKeyHWFDGQNZSNXZCK-UHFFFAOYSA-N
XLogP2.13
TPSA104.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 18207434
6-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 16556228
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 6217588
N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
CID 41210948
ethyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinylidene]piperidine-1-carboxylate
CID 9466019
ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
CID 5236956
N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
CID 41237004
N,N-diethyl-6-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 6255801
ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
CID 3915088
ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate
CID 42948243
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate (CID 8900489) is ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNc2ccc(S(=O)(=O)N(CC)CC)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate?
The InChIKey is HWFDGQNZSNXZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4S/c1-4-22(5-2)27(24,25)15-7-8-16(18-13-15)20-19-14-9-11-21(12-10-14)17(23)26-6-3/h7-8,13H,4-6,9-12H2,1-3H3,(H,18,20).
What are the key properties of ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate?
ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate is sourced from PubChem (CID 8900489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).