N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine

C9H18F3N3O3S — CID 114815040

IUPACN-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine
SMILESCOCCNS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C9H18F3N3O3S/c1-18-5-4-14-19(16,17)15-7-2-3-8(13-6-7)9(10,11)12/h7-8,13-15H,2-6H2,1H3
InChIKeyWJVVLGCYLFQYNV-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.26
Rot. Bonds6

About N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine

N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine (PubChem CID 114815040) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine
PubChem CID114815040
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC NameN-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine
SMILESCOCCNS(=O)(=O)NC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C9H18F3N3O3S/c1-18-5-4-14-19(16,17)15-7-2-3-8(13-6-7)9(10,11)12/h7-8,13-15H,2-6H2,1H3
InChIKeyWJVVLGCYLFQYNV-UHFFFAOYSA-N
XLogP-0.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 121521175
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 55139036
N-[(1-methylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61808641
2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]ethanamine
CID 62579517
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]propan-2-amine
CID 62579662
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 62580583
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 62581282
N-[[1-(2,2-difluoroethyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62581301
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 62581843
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
CID 62581844
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 63878441
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methyl]ethanamine
CID 64567943

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine (CID 114815040) is N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine is COCCNS(=O)(=O)NC1CCC(C(F)(F)F)NC1.
What is the InChIKey of N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine?
The InChIKey is WJVVLGCYLFQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c1-18-5-4-14-19(16,17)15-7-2-3-8(13-6-7)9(10,11)12/h7-8,13-15H,2-6H2,1H3.
What are the key properties of N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine?
N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine has a molecular weight of 305.32 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfamoyl)-6-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 114815040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).