N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine

C15H24FN3O3S — CID 665482

IUPACN-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCN(C)S(=O)(=O)N(CCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C15H24FN3O3S/c1-17(2)23(20,21)19(8-7-18-9-11-22-12-10-18)13-14-5-3-4-6-15(14)16/h3-6H,7-13H2,1-2H3
InChIKeySFABKXMJNILINE-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.77
Rot. Bonds7

About N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine

N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 665482) has the molecular formula C15H24FN3O3S and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID665482
Molecular FormulaC15H24FN3O3S
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC NameN-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCN(C)S(=O)(=O)N(CCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C15H24FN3O3S/c1-17(2)23(20,21)19(8-7-18-9-11-22-12-10-18)13-14-5-3-4-6-15(14)16/h3-6H,7-13H2,1-2H3
InChIKeySFABKXMJNILINE-UHFFFAOYSA-N
XLogP0.77
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine (CID 665482) is N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine is CN(C)S(=O)(=O)N(CCN1CCOCC1)Cc1ccccc1F.
What is the InChIKey of N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is SFABKXMJNILINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O3S/c1-17(2)23(20,21)19(8-7-18-9-11-22-12-10-18)13-14-5-3-4-6-15(14)16/h3-6H,7-13H2,1-2H3.
What are the key properties of N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine?
N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 345.44 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 665482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).