2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide

C11H21F3N4O2S — CID 83047914

IUPAC2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(NS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O2S/c12-11(13,14)4-1-7-21(19,20)17-9-2-5-18(6-3-9)8-10(15)16/h9,17H,1-8H2,(H3,15,16)
InChIKeyAAXGZKWUVNABFH-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.65
Rot. Bonds7

About 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide

2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide (PubChem CID 83047914) has the molecular formula C11H21F3N4O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide
PubChem CID83047914
Molecular FormulaC11H21F3N4O2S
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(NS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O2S/c12-11(13,14)4-1-7-21(19,20)17-9-2-5-18(6-3-9)8-10(15)16/h9,17H,1-8H2,(H3,15,16)
InChIKeyAAXGZKWUVNABFH-UHFFFAOYSA-N
XLogP0.65
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide 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 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide (CID 83047914) is 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCC(NS(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide?
The InChIKey is AAXGZKWUVNABFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O2S/c12-11(13,14)4-1-7-21(19,20)17-9-2-5-18(6-3-9)8-10(15)16/h9,17H,1-8H2,(H3,15,16).
What are the key properties of 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide?
2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide has a molecular weight of 330.38 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4,4-trifluorobutylsulfonylamino)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 83047914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).