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

C17H25N3O3S — CID 1321624

IUPAC4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-15-4-6-16(7-5-15)24(21,22)18-17(20-8-2-3-9-20)14-19-10-12-23-13-11-19/h4-7H,2-3,8-14H2,1H3
InChIKeyIRZYNAOKZFTXTA-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.51
Rot. Bonds4

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

4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide (PubChem CID 1321624) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide
PubChem CID1321624
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-15-4-6-16(7-5-15)24(21,22)18-17(20-8-2-3-9-20)14-19-10-12-23-13-11-19/h4-7H,2-3,8-14H2,1H3
InChIKeyIRZYNAOKZFTXTA-UHFFFAOYSA-N
XLogP1.51
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.51
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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Related Compounds

Piperidine, 1-(1-(((4-methylphenyl)sulfonyl)imino)ethyl)-
CID 9587107
Benzenesulfonamide, 4-methyl-N-[2-chloro-1-(4-morpholyl)ethyl]-
CID 9600677
4-methyl-N-[(Z)-morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 5399753
Benzenesulfonamide, 4-methyl-N-(1-methyl-2-pyrrolidinylidene)-
CID 9578491
Benzenesulfonamide, N-(1-ethyl-2-pyrrolidinylidene)-4-methyl-
CID 9589290
Benzenesulfonamide, N-(1-butyl-2-pyrrolidinylidene)-4-methyl-
CID 9589291
Cambridge id 6791667
CID 567925
N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide
CID 694499
4-methyl-N-(1-morpholin-4-yl-2-piperidin-1-ylethylidene)benzenesulfonamide
CID 1318179
Cambridge id 6822936
CID 7355187
4-methyl-N-[(1E)-2-(morpholin-4-yl)-1-(pyrrolidin-1-yl)ethylidene]benzenesulfonamide
CID 9568067
4-methyl-N-[(1E)-1-(morpholin-4-yl)-2-(piperidin-1-yl)ethylidene]benzenesulfonamide
CID 9568065

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide (CID 1321624) is 4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(CN2CCOCC2)N2CCCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide?
The InChIKey is IRZYNAOKZFTXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-15-4-6-16(7-5-15)24(21,22)18-17(20-8-2-3-9-20)14-19-10-12-23-13-11-19/h4-7H,2-3,8-14H2,1H3.
What are the key properties of 4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide?
4-methyl-N-(2-morpholin-4-yl-1-pyrrolidin-1-ylethylidene)benzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.51, 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-pyrrolidin-1-ylethylidene)benzenesulfonamide is sourced from PubChem (CID 1321624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).