8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane

C14H18ClNO3S — CID 122255566

IUPAC8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)N2S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3S/c1-19-13-8-11-5-6-12(9-13)16(11)20(17,18)14-4-2-3-10(15)7-14/h2-4,7,11-13H,5-6,8-9H2,1H3
InChIKeyDPTGZXNVFPOINA-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.67
Rot. Bonds3

About 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane

8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane (PubChem CID 122255566) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane
PubChem CID122255566
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)N2S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3S/c1-19-13-8-11-5-6-12(9-13)16(11)20(17,18)14-4-2-3-10(15)7-14/h2-4,7,11-13H,5-6,8-9H2,1H3
InChIKeyDPTGZXNVFPOINA-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764575
8-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane
CID 122255625
3-methoxy-8-[4-(3-methylphenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octane
CID 122255628
4-[(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzonitrile
CID 122255640
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224
1-(3-chlorophenyl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43598001
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186748
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane (CID 122255566) is 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane is COC1CC2CCC(C1)N2S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is DPTGZXNVFPOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-19-13-8-11-5-6-12(9-13)16(11)20(17,18)14-4-2-3-10(15)7-14/h2-4,7,11-13H,5-6,8-9H2,1H3.
What are the key properties of 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane?
8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 315.82 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)sulfonyl-3-methoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122255566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).