[4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine

C11H21F3N2O3S — CID 115963475

IUPAC[4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)CCCC(F)(F)F)C(CN)C1
InChIInChI=1S/C11H21F3N2O3S/c1-19-10-3-5-16(9(7-10)8-15)20(17,18)6-2-4-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyBJFPLQZQNMRYDN-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.10
Rot. Bonds6

About [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine

[4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine (PubChem CID 115963475) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine
PubChem CID115963475
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name[4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)CCCC(F)(F)F)C(CN)C1
InChIInChI=1S/C11H21F3N2O3S/c1-19-10-3-5-16(9(7-10)8-15)20(17,18)6-2-4-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyBJFPLQZQNMRYDN-UHFFFAOYSA-N
XLogP1.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine 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-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine (CID 115963475) is [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine is COC1CCN(S(=O)(=O)CCCC(F)(F)F)C(CN)C1.
What is the InChIKey of [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine?
The InChIKey is BJFPLQZQNMRYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c1-19-10-3-5-16(9(7-10)8-15)20(17,18)6-2-4-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine?
[4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine has a molecular weight of 318.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 115963475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).