1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride

C11H15ClF3N3O2S — CID 167932026

IUPAC1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCC(C(F)(F)F)N(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C11H14F3N3O2S.ClH/c12-11(13,14)10-4-3-8(15)7-17(10)20(18,19)9-2-1-5-16-6-9;/h1-2,5-6,8,10H,3-4,7,15H2;1H
InChIKeyKWVVRQMYWHUFPD-UHFFFAOYSA-N
MW345.77 g/mol
LogP1.55
Rot. Bonds2

About 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride

1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride (PubChem CID 167932026) has the molecular formula C11H15ClF3N3O2S and a molecular weight of 345.77 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride
PubChem CID167932026
Molecular FormulaC11H15ClF3N3O2S
Molecular Weight345.77 g/mol
Exact Mass345.05
IUPAC Name1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCC(C(F)(F)F)N(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C11H14F3N3O2S.ClH/c12-11(13,14)10-4-3-8(15)7-17(10)20(18,19)9-2-1-5-16-6-9;/h1-2,5-6,8,10H,3-4,7,15H2;1H
InChIKeyKWVVRQMYWHUFPD-UHFFFAOYSA-N
XLogP1.55
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine
CID 154735513
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
(3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine
CID 129433921
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
(1S,5R)-3-methylsulfonyl-6-pyridin-3-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonane
CID 70744746

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride?
The IUPAC name of 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride (CID 167932026) is 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride is Cl.NC1CCC(C(F)(F)F)N(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride?
The InChIKey is KWVVRQMYWHUFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S.ClH/c12-11(13,14)10-4-3-8(15)7-17(10)20(18,19)9-2-1-5-16-6-9;/h1-2,5-6,8,10H,3-4,7,15H2;1H.
What are the key properties of 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride?
1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride has a molecular weight of 345.77 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 167932026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).