(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane

C15H23FN4O3S — CID 97476338

IUPAC(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1S(C)(=O)=O
InChIInChI=1S/C15H23FN4O3S/c1-23-11-13-3-4-15(20(13)24(2,21)22)5-7-19(8-6-15)14-17-9-12(16)10-18-14/h9-10,13H,3-8,11H2,1-2H3/t13-/m0/s1
InChIKeyKEGBMNAYMVACPB-ZDUSSCGKSA-N
MW358.44 g/mol
LogP1.03
Rot. Bonds4

About (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane

(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane (PubChem CID 97476338) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
PubChem CID97476338
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1S(C)(=O)=O
InChIInChI=1S/C15H23FN4O3S/c1-23-11-13-3-4-15(20(13)24(2,21)22)5-7-19(8-6-15)14-17-9-12(16)10-18-14/h9-10,13H,3-8,11H2,1-2H3/t13-/m0/s1
InChIKeyKEGBMNAYMVACPB-ZDUSSCGKSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-Ethylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743454
N-[(2R,3S,3aS,6aR)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl]methanesulfonamide
CID 169024462
N-[(5R,9S)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]ethanesulfonamide
CID 97474220
(3S)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97474221
(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97474222
N-[[(5R,7R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97474854
N-[[(5R,7S)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475062
(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 97475083
(3S)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 97475084
(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
CID 97475253
(2R)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
CID 97475254
(2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane
CID 97475273

Frequently Asked Questions

What is the IUPAC name of (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane (CID 97476338) is (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane is COC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1S(C)(=O)=O.
What is the InChIKey of (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
The InChIKey is KEGBMNAYMVACPB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-23-11-13-3-4-15(20(13)24(2,21)22)5-7-19(8-6-15)14-17-9-12(16)10-18-14/h9-10,13H,3-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane?
(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane has a molecular weight of 358.44 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97476338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).