(6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C15H23FN4O3S — CID 97494874

IUPAC(6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCS(=O)(=O)N1CCC[C@@]2(COCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H23FN4O3S/c1-2-24(21,22)20-5-3-4-15(11-20)10-19(6-7-23-12-15)14-17-8-13(16)9-18-14/h8-9H,2-7,10-12H2,1H3/t15-/m0/s1
InChIKeyQZRYOLLWNXQHRP-HNNXBMFYSA-N
MW358.44 g/mol
LogP0.88
Rot. Bonds3

About (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494874) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97494874
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name(6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCS(=O)(=O)N1CCC[C@@]2(COCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H23FN4O3S/c1-2-24(21,22)20-5-3-4-15(11-20)10-19(6-7-23-12-15)14-17-8-13(16)9-18-14/h8-9H,2-7,10-12H2,1H3/t15-/m0/s1
InChIKeyQZRYOLLWNXQHRP-HNNXBMFYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494874) is (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is CCS(=O)(=O)N1CCC[C@@]2(COCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is QZRYOLLWNXQHRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-2-24(21,22)20-5-3-4-15(11-20)10-19(6-7-23-12-15)14-17-8-13(16)9-18-14/h8-9H,2-7,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 358.44 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-ethylsulfonyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).