4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine

C14H19FN2O3S — CID 11245059

IUPAC4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)CNC(CF)C2)N1CCOCC1
InChIInChI=1S/C14H19FN2O3S/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2
InChIKeyAGLDBDVKFJFGQN-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.69
Rot. Bonds3

About 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine

4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine (PubChem CID 11245059) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine
PubChem CID11245059
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)CNC(CF)C2)N1CCOCC1
InChIInChI=1S/C14H19FN2O3S/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2
InChIKeyAGLDBDVKFJFGQN-UHFFFAOYSA-N
XLogP0.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide
CID 5226
(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11349402
(3R)-3-(Fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
CID 11485425
3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10019263
3-(Fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11394776
3-(Hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10263774
3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11313333
4-(2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylsulfonyl)morpholine
CID 44573223
3-(fluoromethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10108068
3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10634951
N-ethyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11196556

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine (CID 11245059) is 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine is O=S(=O)(c1ccc2c(c1)CNC(CF)C2)N1CCOCC1.
What is the InChIKey of 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine?
The InChIKey is AGLDBDVKFJFGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2.
What are the key properties of 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine?
4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine has a molecular weight of 314.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfonyl]morpholine is sourced from PubChem (CID 11245059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).