(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride

C9H16FNO2S — CID 171937362

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride
SMILESCN1C2CCC1CC(CS(=O)(=O)F)C2
InChIInChI=1S/C9H16FNO2S/c1-11-8-2-3-9(11)5-7(4-8)6-14(10,12)13/h7-9H,2-6H2,1H3
InChIKeyNBDQOVZWWNQVOR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.16
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride (PubChem CID 171937362) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride
PubChem CID171937362
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride
SMILESCN1C2CCC1CC(CS(=O)(=O)F)C2
InChIInChI=1S/C9H16FNO2S/c1-11-8-2-3-9(11)5-7(4-8)6-14(10,12)13/h7-9H,2-6H2,1H3
InChIKeyNBDQOVZWWNQVOR-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1,1-Difluoroethylsulfonyl)-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58414490
8-Methyl-8-azabicyclo[3.2.1]octane-3-sulfonyl fluoride
CID 165523060
{8-Azabicyclo[3.2.1]octan-3-yl}methanesulfonyl fluoride
CID 165532216
(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58395041
(1S,5S)-8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58414475
3-Methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 58959836
8-(2-Methoxyethylsulfonyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 68197914
(1S,5S)-8-cyclopropylsulfonyl-3-methyl-8-azabicyclo[3.2.1]octane
CID 68240185
3-Ethyl-8-(2-methoxyethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 68240363
8-Methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 76775647
8-Cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 76779547
[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanesulfonic acid
CID 87381613

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride (CID 171937362) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride is CN1C2CCC1CC(CS(=O)(=O)F)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride?
The InChIKey is NBDQOVZWWNQVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2S/c1-11-8-2-3-9(11)5-7(4-8)6-14(10,12)13/h7-9H,2-6H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride has a molecular weight of 221.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 171937362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).