3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine

C12H24FNO3S — CID 106735978

IUPAC3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine
SMILESCCCS(=O)(=O)CCC(C)(F)CC1COCCN1
InChIInChI=1S/C12H24FNO3S/c1-3-7-18(15,16)8-4-12(2,13)9-11-10-17-6-5-14-11/h11,14H,3-10H2,1-2H3
InChIKeyCFEVJASMNBKAHR-UHFFFAOYSA-N
MW281.39 g/mol
LogP1.31
Rot. Bonds7

About 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine

3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine (PubChem CID 106735978) has the molecular formula C12H24FNO3S and a molecular weight of 281.39 g/mol. Its IUPAC name is 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine.

Molecular Properties

Compound Name3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine
PubChem CID106735978
Molecular FormulaC12H24FNO3S
Molecular Weight281.39 g/mol
Exact Mass281.15
IUPAC Name3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine
SMILESCCCS(=O)(=O)CCC(C)(F)CC1COCCN1
InChIInChI=1S/C12H24FNO3S/c1-3-7-18(15,16)8-4-12(2,13)9-11-10-17-6-5-14-11/h11,14H,3-10H2,1-2H3
InChIKeyCFEVJASMNBKAHR-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine?
The IUPAC name of 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine (CID 106735978) is 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine.
What is the SMILES notation for 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine?
The canonical SMILES for 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine is CCCS(=O)(=O)CCC(C)(F)CC1COCCN1.
What is the InChIKey of 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine?
The InChIKey is CFEVJASMNBKAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO3S/c1-3-7-18(15,16)8-4-12(2,13)9-11-10-17-6-5-14-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine?
3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine has a molecular weight of 281.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methyl-4-propylsulfonylbutyl)morpholine is sourced from PubChem (CID 106735978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).