(5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane

C16H23FN2O2S — CID 97393104

IUPAC(5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3F)C2)C1
InChIInChI=1S/C16H23FN2O2S/c1-2-22(20,21)19-10-8-16(13-19)7-9-18(12-16)11-14-5-3-4-6-15(14)17/h3-6H,2,7-13H2,1H3/t16-/m1/s1
InChIKeyCJXXARPCFYRHSM-MRXNPFEDSA-N
MW326.44 g/mol
LogP2.07
Rot. Bonds4

About (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane

(5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 97393104) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID97393104
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC Name(5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3F)C2)C1
InChIInChI=1S/C16H23FN2O2S/c1-2-22(20,21)19-10-8-16(13-19)7-9-18(12-16)11-14-5-3-4-6-15(14)17/h3-6H,2,7-13H2,1H3/t16-/m1/s1
InChIKeyCJXXARPCFYRHSM-MRXNPFEDSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (CID 97393104) is (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is CCS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3F)C2)C1.
What is the InChIKey of (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is CJXXARPCFYRHSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-2-22(20,21)19-10-8-16(13-19)7-9-18(12-16)11-14-5-3-4-6-15(14)17/h3-6H,2,7-13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
(5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 326.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-ethylsulfonyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 97393104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).