(4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

C15H23FN4O3S — CID 124798918

IUPAC(4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CN(S(C)(=O)=O)CC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C15H23FN4O3S/c1-23-10-12-9-20(24(2,21)22)11-15(12)3-5-19(6-4-15)14-17-7-13(16)8-18-14/h7-8,12H,3-6,9-11H2,1-2H3/t12-/m1/s1
InChIKeyZRQXXPPDTPNTLJ-GFCCVEGCSA-N
MW358.44 g/mol
LogP0.74
Rot. Bonds4

About (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

(4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 124798918) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID124798918
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name(4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CN(S(C)(=O)=O)CC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C15H23FN4O3S/c1-23-10-12-9-20(24(2,21)22)11-15(12)3-5-19(6-4-15)14-17-7-13(16)8-18-14/h7-8,12H,3-6,9-11H2,1-2H3/t12-/m1/s1
InChIKeyZRQXXPPDTPNTLJ-GFCCVEGCSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

9-(5-Fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739083
2-Ethylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739087
9-(5-Fluoropyrimidin-2-yl)-2-propylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739088
N-[[(3S,3aR,7aR)-5-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 97459971
[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]methyl methanesulfonate
CID 86638746
(+/-)-1-[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]ethyl methanesulfonate
CID 86638748
2-Ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
CID 140893445
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethyl ethanesulfonate
CID 142782121
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-(propan-2-yloxymethyl)piperidine-3-sulfonamide
CID 163637883
[1-[5-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl methanesulfonate
CID 170983057
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol
CID 172744912
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethyl methanesulfonate
CID 177734983

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 124798918) is (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is COC[C@H]1CN(S(C)(=O)=O)CC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is ZRQXXPPDTPNTLJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-23-10-12-9-20(24(2,21)22)11-15(12)3-5-19(6-4-15)14-17-7-13(16)8-18-14/h7-8,12H,3-6,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
(4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 358.44 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(5-fluoropyrimidin-2-yl)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 124798918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).