(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

C11H21NO2S — CID 58395041

IUPAC(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-8(2)9-6-10-4-5-11(7-9)12(10)15(3,13)14/h8-11H,4-7H2,1-3H3/t9?,10-,11+
InChIKeyFXQSYPQLSHOAEK-FGWVZKOKSA-N
MW231.36 g/mol
LogP1.85
Rot. Bonds2

About (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 58395041) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID58395041
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-8(2)9-6-10-4-5-11(7-9)12(10)15(3,13)14/h8-11H,4-7H2,1-3H3/t9?,10-,11+
InChIKeyFXQSYPQLSHOAEK-FGWVZKOKSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764039
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 66778131
3-tert-butyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 164835658
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide
CID 99987789
ethene;(3R)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
CID 155736359
9-methylsulfonyl-3-oxa-9-azabicyclo[3.3.1]nonane
CID 58360234
8-butan-2-yl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 71286586
8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59450891
(1S,5R)-3-(benzenesulfonyl)-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97417329
2-[2-amino-2-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 74410317
N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine
CID 170610918
methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane
CID 146940638

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 58395041) is (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)C1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O.
What is the InChIKey of (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is FXQSYPQLSHOAEK-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-8(2)9-6-10-4-5-11(7-9)12(10)15(3,13)14/h8-11H,4-7H2,1-3H3/t9?,10-,11+.
What are the key properties of (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 231.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58395041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).