4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

C16H21F3N2O3S — CID 45170539

IUPAC4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESO=S(=O)(N1CCCC1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)14-5-3-4-13(10-14)11-15-12-21(8-9-24-15)25(22,23)20-6-1-2-7-20/h3-5,10,15H,1-2,6-9,11-12H2
InChIKeyVKBIUZBHCUQTIY-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.29
Rot. Bonds4

About 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 45170539) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID45170539
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESO=S(=O)(N1CCCC1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)14-5-3-4-13(10-14)11-15-12-21(8-9-24-15)25(22,23)20-6-1-2-7-20/h3-5,10,15H,1-2,6-9,11-12H2
InChIKeyVKBIUZBHCUQTIY-UHFFFAOYSA-N
XLogP2.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]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 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 45170539) is 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is O=S(=O)(N1CCCC1)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is VKBIUZBHCUQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c17-16(18,19)14-5-3-4-13(10-14)11-15-12-21(8-9-24-15)25(22,23)20-6-1-2-7-20/h3-5,10,15H,1-2,6-9,11-12H2.
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 378.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 45170539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).