4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide

C18H27N3O3S — CID 7355187

IUPAC4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCCCC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-16-5-7-17(8-6-16)25(22,23)19-18(21-9-3-2-4-10-21)15-20-11-13-24-14-12-20/h5-8H,2-4,9-15H2,1H3
InChIKeyVQFLLMIWPJGNQX-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.90
Rot. Bonds4

About 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide

4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide (PubChem CID 7355187) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide
PubChem CID7355187
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCCCC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-16-5-7-17(8-6-16)25(22,23)19-18(21-9-3-2-4-10-21)15-20-11-13-24-14-12-20/h5-8H,2-4,9-15H2,1H3
InChIKeyVQFLLMIWPJGNQX-UHFFFAOYSA-N
XLogP1.90
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide (CID 7355187) is 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide?
The InChIKey is VQFLLMIWPJGNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-16-5-7-17(8-6-16)25(22,23)19-18(21-9-3-2-4-10-21)15-20-11-13-24-14-12-20/h5-8H,2-4,9-15H2,1H3.
What are the key properties of 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide?
4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-yl-1-piperidin-1-ylethylidene)benzenesulfonamide is sourced from PubChem (CID 7355187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).