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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).