1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine

C9H19F3N4O2S — CID 114804031

IUPAC1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
SMILESNCCN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H19F3N4O2S/c10-9(11,12)7-14-19(17,18)15-8-1-4-16(5-2-8)6-3-13/h8,14-15H,1-7,13H2
InChIKeyLJYDHGHUEWSOJV-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.60
Rot. Bonds6

About 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine

1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine (PubChem CID 114804031) has the molecular formula C9H19F3N4O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
PubChem CID114804031
Molecular FormulaC9H19F3N4O2S
Molecular Weight304.34 g/mol
Exact Mass304.12
IUPAC Name1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
SMILESNCCN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H19F3N4O2S/c10-9(11,12)7-14-19(17,18)15-8-1-4-16(5-2-8)6-3-13/h8,14-15H,1-7,13H2
InChIKeyLJYDHGHUEWSOJV-UHFFFAOYSA-N
XLogP-0.60
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The IUPAC name of 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine (CID 114804031) is 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine is NCCN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The InChIKey is LJYDHGHUEWSOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N4O2S/c10-9(11,12)7-14-19(17,18)15-8-1-4-16(5-2-8)6-3-13/h8,14-15H,1-7,13H2.
What are the key properties of 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine has a molecular weight of 304.34 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine is sourced from PubChem (CID 114804031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).