N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride

C7H15ClF3N3O2S — CID 75481816

IUPACN-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(NCC(F)(F)F)NC1CCNCC1
InChIInChI=1S/C7H14F3N3O2S.ClH/c8-7(9,10)5-12-16(14,15)13-6-1-3-11-4-2-6;/h6,11-13H,1-5H2;1H
InChIKeyQYJAIHXWDGGBLF-UHFFFAOYSA-N
MW297.73 g/mol
LogP0.15
Rot. Bonds4

About N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride

N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride (PubChem CID 75481816) has the molecular formula C7H15ClF3N3O2S and a molecular weight of 297.73 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride
PubChem CID75481816
Molecular FormulaC7H15ClF3N3O2S
Molecular Weight297.73 g/mol
Exact Mass297.05
IUPAC NameN-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(NCC(F)(F)F)NC1CCNCC1
InChIInChI=1S/C7H14F3N3O2S.ClH/c8-7(9,10)5-12-16(14,15)13-6-1-3-11-4-2-6;/h6,11-13H,1-5H2;1H
InChIKeyQYJAIHXWDGGBLF-UHFFFAOYSA-N
XLogP0.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride (CID 75481816) is N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride is Cl.O=S(=O)(NCC(F)(F)F)NC1CCNCC1.
What is the InChIKey of N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride?
The InChIKey is QYJAIHXWDGGBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S.ClH/c8-7(9,10)5-12-16(14,15)13-6-1-3-11-4-2-6;/h6,11-13H,1-5H2;1H.
What are the key properties of N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride?
N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride has a molecular weight of 297.73 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 75481816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).