9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate

C24H26FNO4S — CID 171937374

IUPAC9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C2CCCC1CC(CS(=O)(=O)F)C2
InChIInChI=1S/C24H26FNO4S/c25-31(28,29)15-16-12-17-6-5-7-18(13-16)26(17)24(27)30-14-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-11,16-18,23H,5-7,12-15H2
InChIKeyZCQCWADCFYSPOO-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.87
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate

9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171937374) has the molecular formula C24H26FNO4S and a molecular weight of 443.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171937374
Molecular FormulaC24H26FNO4S
Molecular Weight443.54 g/mol
Exact Mass443.16
IUPAC Name9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C2CCCC1CC(CS(=O)(=O)F)C2
InChIInChI=1S/C24H26FNO4S/c25-31(28,29)15-16-12-17-6-5-7-18(13-16)26(17)24(27)30-14-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-11,16-18,23H,5-7,12-15H2
InChIKeyZCQCWADCFYSPOO-UHFFFAOYSA-N
XLogP4.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 3-propyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951277
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937278
9H-fluoren-9-ylmethyl 3-hydrazinyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951230
3-O-ethyl 9-O-(9H-fluoren-9-ylmethyl) 9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate
CID 171936295
9H-fluoren-9-ylmethyl 3-(2,3,5,6-tetrafluorobenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171941151
9H-fluoren-9-ylmethyl 3-(3,3-dimethylbutanoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938535
9H-fluoren-9-ylmethyl 3-(2-phenylbenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171943259
9H-fluoren-9-ylmethyl 3-amino-3-carbamoyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171936457
9H-fluoren-9-ylmethyl 3-(methoxymethylidene)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951617
9H-fluoren-9-ylmethyl 3-(3-methylbut-3-enoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171938246
9H-fluoren-9-ylmethyl 3-(naphthalene-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171942235
9H-fluoren-9-ylmethyl 3-(2-fluoro-3-methylbenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945007

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171937374) is 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1C2CCCC1CC(CS(=O)(=O)F)C2.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is ZCQCWADCFYSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO4S/c25-31(28,29)15-16-12-17-6-5-7-18(13-16)26(17)24(27)30-14-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-4,8-11,16-18,23H,5-7,12-15H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 443.54 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-(fluorosulfonylmethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171937374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).