8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane

C19H20N4O2S — CID 119101733

IUPAC8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1cccc2ccccc12)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C19H20N4O2S/c24-26(25,19-7-3-5-14-4-1-2-6-18(14)19)22-15-8-9-16(22)13-17(12-15)23-20-10-11-21-23/h1-7,10-11,15-17H,8-9,12-13H2
InChIKeyOWWWQKRKPISAAX-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.99
Rot. Bonds3

About 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane

8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 119101733) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane
PubChem CID119101733
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1cccc2ccccc12)N1C2CCC1CC(n1nccn1)C2
InChIInChI=1S/C19H20N4O2S/c24-26(25,19-7-3-5-14-4-1-2-6-18(14)19)22-15-8-9-16(22)13-17(12-15)23-20-10-11-21-23/h1-7,10-11,15-17H,8-9,12-13H2
InChIKeyOWWWQKRKPISAAX-UHFFFAOYSA-N
XLogP2.99
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane (CID 119101733) is 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane is O=S(=O)(c1cccc2ccccc12)N1C2CCC1CC(n1nccn1)C2.
What is the InChIKey of 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is OWWWQKRKPISAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-26(25,19-7-3-5-14-4-1-2-6-18(14)19)22-15-8-9-16(22)13-17(12-15)23-20-10-11-21-23/h1-7,10-11,15-17H,8-9,12-13H2.
What are the key properties of 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane?
8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 368.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-1-ylsulfonyl-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 119101733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).