8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

C17H20N2O3S2 — CID 121186718

IUPAC8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)s1
InChIInChI=1S/C17H20N2O3S2/c1-12-2-5-17(23-12)24(20,21)19-13-3-4-14(19)11-16(10-13)22-15-6-8-18-9-7-15/h2,5-9,13-14,16H,3-4,10-11H2,1H3
InChIKeyVUELLBXYDQIRMX-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.21
Rot. Bonds4

About 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane

8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 121186718) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID121186718
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)s1
InChIInChI=1S/C17H20N2O3S2/c1-12-2-5-17(23-12)24(20,21)19-13-3-4-14(19)11-16(10-13)22-15-6-8-18-9-7-15/h2,5-9,13-14,16H,3-4,10-11H2,1H3
InChIKeyVUELLBXYDQIRMX-UHFFFAOYSA-N
XLogP3.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-chloro-4-methylphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186748
8-butylsulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186710
8-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186812
8-(3-fluoro-4-methoxyphenyl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 121186745
8-(5-methylthiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]oct-2-ene
CID 72720096
8-(3-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186224
(1S,5R)-3-pyridin-4-yloxy-8-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]-8-azabicyclo[3.2.1]octane
CID 66755339
(1S,5S)-3-pyridin-3-yloxy-8-(2,3,5,6-tetramethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 129357348
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
8-(5-chloro-2-methylphenyl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186250
2-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122247367

Frequently Asked Questions

What is the IUPAC name of 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane (CID 121186718) is 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is Cc1ccc(S(=O)(=O)N2C3CCC2CC(Oc2ccncc2)C3)s1.
What is the InChIKey of 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is VUELLBXYDQIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12-2-5-17(23-12)24(20,21)19-13-3-4-14(19)11-16(10-13)22-15-6-8-18-9-7-15/h2,5-9,13-14,16H,3-4,10-11H2,1H3.
What are the key properties of 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane?
8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 364.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylthiophen-2-yl)sulfonyl-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121186718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).