[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate

C18H26N2O5S — CID 3747668

IUPAC[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate
SMILESCOc1ccc(S(=O)(=O)ON=C2CC(C)(C)N(C(C)=O)C(C)(C)C2)cc1
InChIInChI=1S/C18H26N2O5S/c1-13(21)20-17(2,3)11-14(12-18(20,4)5)19-25-26(22,23)16-9-7-15(24-6)8-10-16/h7-10H,11-12H2,1-6H3
InChIKeyIPNFLCJROSPTML-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.96
Rot. Bonds4

About [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate

[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate (PubChem CID 3747668) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate.

Molecular Properties

Compound Name[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate
PubChem CID3747668
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate
SMILESCOc1ccc(S(=O)(=O)ON=C2CC(C)(C)N(C(C)=O)C(C)(C)C2)cc1
InChIInChI=1S/C18H26N2O5S/c1-13(21)20-17(2,3)11-14(12-18(20,4)5)19-25-26(22,23)16-9-7-15(24-6)8-10-16/h7-10H,11-12H2,1-6H3
InChIKeyIPNFLCJROSPTML-UHFFFAOYSA-N
XLogP2.96
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzoate
CID 1485376
[[4-(benzenesulfonyloxyimino)cyclohexa-2,5-dien-1-ylidene]amino] 4-methoxybenzoate
CID 5229486
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
[3-[4-(4-methoxyphenyl)phenyl]sulfonyloxy-2,2-bis[[4-(4-methoxyphenyl)phenyl]sulfonyloxymethyl]propyl] 4-(4-methoxyphenyl)benzenesulfonate
CID 23726441
methyl 3-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazonane-3-carboxylate
CID 90883271
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
[(Z)-(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 4-methoxybenzenesulfonate
CID 6527509
diethyl 1-(4-methoxyphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 582717
2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide
CID 134957212
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393

Frequently Asked Questions

What is the IUPAC name of [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate?
The IUPAC name of [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate (CID 3747668) is [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate.
What is the SMILES notation for [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate?
The canonical SMILES for [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate is COc1ccc(S(=O)(=O)ON=C2CC(C)(C)N(C(C)=O)C(C)(C)C2)cc1.
What is the InChIKey of [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate?
The InChIKey is IPNFLCJROSPTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(21)20-17(2,3)11-14(12-18(20,4)5)19-25-26(22,23)16-9-7-15(24-6)8-10-16/h7-10H,11-12H2,1-6H3.
What are the key properties of [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate?
[(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate has a molecular weight of 382.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-acetyl-2,2,6,6-tetramethylpiperidin-4-ylidene)amino] 4-methoxybenzenesulfonate is sourced from PubChem (CID 3747668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).