(1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane

C19H27FN2O2S — CID 98137723

IUPAC(1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
SMILESO=S(=O)(c1ccc(F)cc1)N1C[C@H]2CCC[C@H](C1)C2N1CCCCC1
InChIInChI=1S/C19H27FN2O2S/c20-17-7-9-18(10-8-17)25(23,24)22-13-15-5-4-6-16(14-22)19(15)21-11-2-1-3-12-21/h7-10,15-16,19H,1-6,11-14H2/t15-,16-/m1/s1
InChIKeyPCHOUNRZALMLLS-HZPDHXFCSA-N
MW366.50 g/mol
LogP3.10
Rot. Bonds3

About (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane

(1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane (PubChem CID 98137723) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
PubChem CID98137723
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Name(1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
SMILESO=S(=O)(c1ccc(F)cc1)N1C[C@H]2CCC[C@H](C1)C2N1CCCCC1
InChIInChI=1S/C19H27FN2O2S/c20-17-7-9-18(10-8-17)25(23,24)22-13-15-5-4-6-16(14-22)19(15)21-11-2-1-3-12-21/h7-10,15-16,19H,1-6,11-14H2/t15-,16-/m1/s1
InChIKeyPCHOUNRZALMLLS-HZPDHXFCSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane with MolForge

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Related Compounds

(1R,5S)-3-(4-methoxyphenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 51596402
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
2-(4-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43404978
1-(4-fluorophenyl)sulfonylazetidin-3-ol
CID 63106433
(3aS,6aR)-5-(4-fluorophenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylic acid
CID 126506453
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
(3aS,6aR)-2-(3,4-difluorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 173069403
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane (CID 98137723) is (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane is O=S(=O)(c1ccc(F)cc1)N1C[C@H]2CCC[C@H](C1)C2N1CCCCC1.
What is the InChIKey of (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane?
The InChIKey is PCHOUNRZALMLLS-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H27FN2O2S/c20-17-7-9-18(10-8-17)25(23,24)22-13-15-5-4-6-16(14-22)19(15)21-11-2-1-3-12-21/h7-10,15-16,19H,1-6,11-14H2/t15-,16-/m1/s1.
What are the key properties of (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane?
(1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane has a molecular weight of 366.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 98137723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).