8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane

C14H17Cl2NO2S2 — CID 90616224

IUPAC8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane
SMILESCSC1CC2CCC(C1)N2S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO2S2/c1-20-11-7-9-5-6-10(8-11)17(9)21(18,19)14-12(15)3-2-4-13(14)16/h2-4,9-11H,5-8H2,1H3
InChIKeyYTNAETXHGOHCSJ-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.04
Rot. Bonds3

About 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane

8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane (PubChem CID 90616224) has the molecular formula C14H17Cl2NO2S2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane
PubChem CID90616224
Molecular FormulaC14H17Cl2NO2S2
Molecular Weight366.34 g/mol
Exact Mass365.01
IUPAC Name8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane
SMILESCSC1CC2CCC(C1)N2S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO2S2/c1-20-11-7-9-5-6-10(8-11)17(9)21(18,19)14-12(15)3-2-4-13(14)16/h2-4,9-11H,5-8H2,1H3
InChIKeyYTNAETXHGOHCSJ-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane (CID 90616224) is 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane is CSC1CC2CCC(C1)N2S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane?
The InChIKey is YTNAETXHGOHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2S2/c1-20-11-7-9-5-6-10(8-11)17(9)21(18,19)14-12(15)3-2-4-13(14)16/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane?
8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane has a molecular weight of 366.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichlorophenyl)sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90616224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).