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

C18H27N3O2S — CID 749444

IUPAC4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCCCC2)N2CCCC2)cc1
InChIInChI=1S/C18H27N3O2S/c1-16-7-9-17(10-8-16)24(22,23)19-18(21-13-5-6-14-21)15-20-11-3-2-4-12-20/h7-10H,2-6,11-15H2,1H3
InChIKeyUYDUJEFLSRUZLI-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.66
Rot. Bonds4

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

4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide (PubChem CID 749444) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide
PubChem CID749444
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCCCC2)N2CCCC2)cc1
InChIInChI=1S/C18H27N3O2S/c1-16-7-9-17(10-8-16)24(22,23)19-18(21-13-5-6-14-21)15-20-11-3-2-4-12-20/h7-10H,2-6,11-15H2,1H3
InChIKeyUYDUJEFLSRUZLI-UHFFFAOYSA-N
XLogP2.66
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide (CID 749444) is 4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(CN2CCCCC2)N2CCCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide?
The InChIKey is UYDUJEFLSRUZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-16-7-9-17(10-8-16)24(22,23)19-18(21-13-5-6-14-21)15-20-11-3-2-4-12-20/h7-10H,2-6,11-15H2,1H3.
What are the key properties of 4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide?
4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide has a molecular weight of 349.50 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-piperidin-1-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide is sourced from PubChem (CID 749444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).