1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine

C10H19F3N2O3S — CID 83059578

IUPAC1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(S(=O)(=O)CCCC(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O3S/c1-8(14)9-7-15(4-5-18-9)19(16,17)6-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyZWLJEQKBEAZMFD-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.71
Rot. Bonds5

About 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine

1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine (PubChem CID 83059578) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine
PubChem CID83059578
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(S(=O)(=O)CCCC(F)(F)F)CCO1
InChIInChI=1S/C10H19F3N2O3S/c1-8(14)9-7-15(4-5-18-9)19(16,17)6-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyZWLJEQKBEAZMFD-UHFFFAOYSA-N
XLogP0.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine 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 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine (CID 83059578) is 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine is CC(N)C1CN(S(=O)(=O)CCCC(F)(F)F)CCO1.
What is the InChIKey of 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine?
The InChIKey is ZWLJEQKBEAZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-8(14)9-7-15(4-5-18-9)19(16,17)6-2-3-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine?
1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine has a molecular weight of 304.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 83059578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).