(8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol

C10H19FN2O3S — CID 122651171

IUPAC(8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol
SMILESO=S(=O)(CCF)N1CCCCN2[C@H](C[C@H]2O)C1
InChIInChI=1S/C10H19FN2O3S/c11-3-6-17(15,16)12-4-1-2-5-13-9(8-12)7-10(13)14/h9-10,14H,1-8H2/t9-,10-/m1/s1
InChIKeyPQRQSYWGMFZLKE-NXEZZACHSA-N
MW266.34 g/mol
LogP-0.23
Rot. Bonds3

About (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol

(8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol (PubChem CID 122651171) has the molecular formula C10H19FN2O3S and a molecular weight of 266.34 g/mol. Its IUPAC name is (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol.

Molecular Properties

Compound Name(8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol
PubChem CID122651171
Molecular FormulaC10H19FN2O3S
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name(8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol
SMILESO=S(=O)(CCF)N1CCCCN2[C@H](C[C@H]2O)C1
InChIInChI=1S/C10H19FN2O3S/c11-3-6-17(15,16)12-4-1-2-5-13-9(8-12)7-10(13)14/h9-10,14H,1-8H2/t9-,10-/m1/s1
InChIKeyPQRQSYWGMFZLKE-NXEZZACHSA-N
XLogP-0.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane
CID 122651279
N-[4-[[(8R,10S)-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]sulfonyl]butyl]acetamide
CID 122651412
1-[(3S)-1-propylsulfonylpiperidin-3-yl]azepane
CID 95342967
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
1-(4-chlorobutylsulfonyl)-3-pyrrolidin-1-ylpiperidine
CID 116815438
1-(3-methylbutylsulfonyl)piperidin-3-ol
CID 63856067
3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylpropanoic acid
CID 93086343
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
CID 63174919

Frequently Asked Questions

What is the IUPAC name of (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol?
The IUPAC name of (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol (CID 122651171) is (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol.
What is the SMILES notation for (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol?
The canonical SMILES for (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol is O=S(=O)(CCF)N1CCCCN2[C@H](C[C@H]2O)C1.
What is the InChIKey of (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol?
The InChIKey is PQRQSYWGMFZLKE-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19FN2O3S/c11-3-6-17(15,16)12-4-1-2-5-13-9(8-12)7-10(13)14/h9-10,14H,1-8H2/t9-,10-/m1/s1.
What are the key properties of (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol?
(8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol has a molecular weight of 266.34 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10R)-6-(2-fluoroethylsulfonyl)-1,6-diazabicyclo[6.2.0]decan-10-ol is sourced from PubChem (CID 122651171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).