8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane

C9H17NO3S — CID 164653518

IUPAC8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)S(=O)(=O)N1C2CCC1COC2
InChIInChI=1S/C9H17NO3S/c1-7(2)14(11,12)10-8-3-4-9(10)6-13-5-8/h7-9H,3-6H2,1-2H3
InChIKeyVSOFXIIKRICVLJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.59
Rot. Bonds2

About 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane

8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 164653518) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID164653518
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)S(=O)(=O)N1C2CCC1COC2
InChIInChI=1S/C9H17NO3S/c1-7(2)14(11,12)10-8-3-4-9(10)6-13-5-8/h7-9H,3-6H2,1-2H3
InChIKeyVSOFXIIKRICVLJ-UHFFFAOYSA-N
XLogP0.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane
CID 58360234
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
2-(7-azabicyclo[2.2.1]heptan-7-ylsulfonyl)propanoic acid
CID 131219470
3-propan-2-yloxetane;1-propan-2-ylsulfonylpyrrolidine
CID 162081963
8-(5-ethylthiophen-2-yl)sulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 71795956
7-methylsulfonyl-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 139302180
(1R,5S)-8-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 95986010
1-[(1R,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 98214711
2-bromo-3-methyl-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 164661059
8-(2-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083724
2-methyl-1-propan-2-ylsulfonylpiperidine
CID 59266035
2-(oxetan-3-yl)-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
CID 164848038

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane (CID 164653518) is 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane is CC(C)S(=O)(=O)N1C2CCC1COC2.
What is the InChIKey of 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is VSOFXIIKRICVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7(2)14(11,12)10-8-3-4-9(10)6-13-5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane?
8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 219.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylsulfonyl-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 164653518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).