8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane

C14H19NO3S — CID 147806045

IUPAC8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(S(=O)(=O)N2C3CCCC2CC3)cc1
InChIInChI=1S/C14H19NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-3-2-4-12(15)6-5-11/h7-12H,2-6H2,1H3
InChIKeyHMLLDTFAMMPZIB-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.40
Rot. Bonds3

About 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane

8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 147806045) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID147806045
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(S(=O)(=O)N2C3CCCC2CC3)cc1
InChIInChI=1S/C14H19NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-3-2-4-12(15)6-5-11/h7-12H,2-6H2,1H3
InChIKeyHMLLDTFAMMPZIB-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
9-[4-(4-methoxyphenoxy)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719776
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]oct-2-ene
CID 90627390
1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218
(2R,5R)-1-(4-methoxyphenyl)sulfonyl-2-methyl-5-propan-2-ylpyrrolidine
CID 16663379
methyl (1S,2S,5R)-9-(4-methylphenyl)sulfonyl-9-azabicyclo[3.3.1]nonane-2-carboxylate
CID 100922074
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
ethyl (1S,3R,4R)-2-(4-methoxyphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 86595840
1-[8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylurea
CID 644582
3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol
CID 156603922
(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407870
(1R,5S)-3-(4-methoxyphenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 51596402

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane (CID 147806045) is 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane is COc1ccc(S(=O)(=O)N2C3CCCC2CC3)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is HMLLDTFAMMPZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-18-13-7-9-14(10-8-13)19(16,17)15-11-3-2-4-12(15)6-5-11/h7-12H,2-6H2,1H3.
What are the key properties of 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane?
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 281.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 147806045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).