9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

C14H22N4O2S — CID 3232716

IUPAC9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C14H22N4O2S/c1-21(19,20)18-10-5-14(6-11-18)4-2-9-17(12-14)13-15-7-3-8-16-13/h3,7-8H,2,4-6,9-12H2,1H3
InChIKeyOYDWWFQHXMAPLD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.12
Rot. Bonds2

About 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 3232716) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID3232716
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCS(=O)(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C14H22N4O2S/c1-21(19,20)18-10-5-14(6-11-18)4-2-9-17(12-14)13-15-7-3-8-16-13/h3,7-8H,2,4-6,9-12H2,1H3
InChIKeyOYDWWFQHXMAPLD-UHFFFAOYSA-N
XLogP1.12
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Methylsulfonyl)-1-piperazinyl]pyrimidine
CID 841759
3-(Pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 3234323
Methyl 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234894
7-Methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233832
2-Pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3234830
1-(2-Pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234494
(5S)-7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 3235014
N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
CID 39999051
1-Methylsulfonyl-2-(1-pyrimidin-2-ylpiperidin-4-yl)azepane
CID 53604068
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(piperidin-1-yl)pyrimidine
CID 70703102
2-(Piperidin-1-yl)-4-(4-(propylsulfonyl)piperazin-1-yl)pyrimidine
CID 70703711
N,N-dimethyl-4-(2-(piperidin-1-yl)pyrimidin-4-yl)piperazine-1-sulfonamide
CID 70703726

Frequently Asked Questions

What is the IUPAC name of 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (CID 3232716) is 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is CS(=O)(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is OYDWWFQHXMAPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-21(19,20)18-10-5-14(6-11-18)4-2-9-17(12-14)13-15-7-3-8-16-13/h3,7-8H,2,4-6,9-12H2,1H3.
What are the key properties of 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 310.42 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfonyl-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3232716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).