N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide

C16H25N3O3S — CID 134025746

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H25N3O3S/c1-17(23(20,21)19-8-2-3-9-19)14-15-4-6-16(7-5-15)18-10-12-22-13-11-18/h4-7H,2-3,8-14H2,1H3
InChIKeyYTLVDVIRCPXCDS-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 134025746) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
PubChem CID134025746
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H25N3O3S/c1-17(23(20,21)19-8-2-3-9-19)14-15-4-6-16(7-5-15)18-10-12-22-13-11-18/h4-7H,2-3,8-14H2,1H3
InChIKeyYTLVDVIRCPXCDS-UHFFFAOYSA-N
XLogP1.30
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide (CID 134025746) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide is CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is YTLVDVIRCPXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-17(23(20,21)19-8-2-3-9-19)14-15-4-6-16(7-5-15)18-10-12-22-13-11-18/h4-7H,2-3,8-14H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 134025746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).