9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

C13H19FN4O2S — CID 131638920

IUPAC9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4O2S/c1-21(19,20)18-7-3-5-13(18)4-2-6-17(10-13)12-15-8-11(14)9-16-12/h8-9H,2-7,10H2,1H3
InChIKeyBHRJHVHBXKWBRQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.01
Rot. Bonds2

About 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (PubChem CID 131638920) has the molecular formula C13H19FN4O2S and a molecular weight of 314.39 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
PubChem CID131638920
Molecular FormulaC13H19FN4O2S
Molecular Weight314.39 g/mol
Exact Mass314.12
IUPAC Name9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCS(=O)(=O)N1CCCC12CCCN(c1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4O2S/c1-21(19,20)18-7-3-5-13(18)4-2-6-17(10-13)12-15-8-11(14)9-16-12/h8-9H,2-7,10H2,1H3
InChIKeyBHRJHVHBXKWBRQ-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 3235014
N'-[(3S*,4R*)-1-(5-fluoro-2-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]-N,N-dimethylsulfamide
CID 72879774
(4aR,7aR)-1-(5-methylpyrimidin-2-yl)-6-methylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97402628
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460080
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 98777341
9-(5-Fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739083
2-Cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739084
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
6-Methyl-2-(5-methylpyrimidin-2-yl)-2,6-diazaspiro[4.5]decane
CID 118742199
2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine
CID 26391186
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamide
CID 91814119

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (CID 131638920) is 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is CS(=O)(=O)N1CCCC12CCCN(c1ncc(F)cn1)C2.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The InChIKey is BHRJHVHBXKWBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2S/c1-21(19,20)18-7-3-5-13(18)4-2-6-17(10-13)12-15-8-11(14)9-16-12/h8-9H,2-7,10H2,1H3.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane has a molecular weight of 314.39 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131638920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).