(6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane

C13H19FN4O3S — CID 97492279

IUPAC(6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C13H19FN4O3S/c1-22(19,20)18-5-6-21-13(10-18)3-2-4-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3/t13-/m0/s1
InChIKeyLKWOBXALIVLZGZ-ZDUSSCGKSA-N
MW330.39 g/mol
LogP0.25
Rot. Bonds2

About (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane

(6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 97492279) has the molecular formula C13H19FN4O3S and a molecular weight of 330.39 g/mol. Its IUPAC name is (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID97492279
Molecular FormulaC13H19FN4O3S
Molecular Weight330.39 g/mol
Exact Mass330.12
IUPAC Name(6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C13H19FN4O3S/c1-22(19,20)18-5-6-21-13(10-18)3-2-4-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3/t13-/m0/s1
InChIKeyLKWOBXALIVLZGZ-ZDUSSCGKSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739085
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
4-Ethylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739113
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
4-Cyclopropylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131650300
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 129524224
[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]methyl methanesulfonate
CID 86638746
(+/-)-1-[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]ethyl methanesulfonate
CID 86638748
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701506
(3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701546

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 97492279) is (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane is CS(=O)(=O)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is LKWOBXALIVLZGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19FN4O3S/c1-22(19,20)18-5-6-21-13(10-18)3-2-4-17(9-13)12-15-7-11(14)8-16-12/h7-8H,2-6,9-10H2,1H3/t13-/m0/s1.
What are the key properties of (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane?
(6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 330.39 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(5-fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97492279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).