1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride

C6H12ClF3N2O2S — CID 66846267

IUPAC1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)14(12,13)11-3-1-2-5(10)4-11;/h5H,1-4,10H2;1H
InChIKeyZCBULXGIOCNDDX-UHFFFAOYSA-N
MW268.69 g/mol
LogP0.68
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride

1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride (PubChem CID 66846267) has the molecular formula C6H12ClF3N2O2S and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride
PubChem CID66846267
Molecular FormulaC6H12ClF3N2O2S
Molecular Weight268.69 g/mol
Exact Mass268.03
IUPAC Name1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)14(12,13)11-3-1-2-5(10)4-11;/h5H,1-4,10H2;1H
InChIKeyZCBULXGIOCNDDX-UHFFFAOYSA-N
XLogP0.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride?
The IUPAC name of 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride (CID 66846267) is 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride is Cl.NC1CCCN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride?
The InChIKey is ZCBULXGIOCNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S.ClH/c7-6(8,9)14(12,13)11-3-1-2-5(10)4-11;/h5H,1-4,10H2;1H.
What are the key properties of 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride?
1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride has a molecular weight of 268.69 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 66846267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).