2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane

C17H16F3N3O2S — CID 168920567

IUPAC2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane
SMILESO=S(=O)(c1cccnc1)N1CC2(CC(c3ccc(C(F)(F)F)nc3)C2)C1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)15-4-3-12(8-22-15)13-6-16(7-13)10-23(11-16)26(24,25)14-2-1-5-21-9-14/h1-5,8-9,13H,6-7,10-11H2
InChIKeyJZTYZCNDUJGNMK-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.06
Rot. Bonds3

About 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane

2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane (PubChem CID 168920567) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane
PubChem CID168920567
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane
SMILESO=S(=O)(c1cccnc1)N1CC2(CC(c3ccc(C(F)(F)F)nc3)C2)C1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)15-4-3-12(8-22-15)13-6-16(7-13)10-23(11-16)26(24,25)14-2-1-5-21-9-14/h1-5,8-9,13H,6-7,10-11H2
InChIKeyJZTYZCNDUJGNMK-UHFFFAOYSA-N
XLogP3.06
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane (CID 168920567) is 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane is O=S(=O)(c1cccnc1)N1CC2(CC(c3ccc(C(F)(F)F)nc3)C2)C1.
What is the InChIKey of 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane?
The InChIKey is JZTYZCNDUJGNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c18-17(19,20)15-4-3-12(8-22-15)13-6-16(7-13)10-23(11-16)26(24,25)14-2-1-5-21-9-14/h1-5,8-9,13H,6-7,10-11H2.
What are the key properties of 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane?
2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane has a molecular weight of 383.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylsulfonyl-6-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 168920567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).