7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane

C12H18N4O2S — CID 3233832

IUPAC7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C12H18N4O2S/c1-19(17,18)16-7-3-12(4-8-16)9-15(10-12)11-13-5-2-6-14-11/h2,5-6H,3-4,7-10H2,1H3
InChIKeyUPNXLLFRHWCGRE-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.34
Rot. Bonds2

About 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane

7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 3233832) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID3233832
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C12H18N4O2S/c1-19(17,18)16-7-3-12(4-8-16)9-15(10-12)11-13-5-2-6-14-11/h2,5-6H,3-4,7-10H2,1H3
InChIKeyUPNXLLFRHWCGRE-UHFFFAOYSA-N
XLogP0.34
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane (CID 3233832) is 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC2(CC1)CN(c1ncccn1)C2.
What is the InChIKey of 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is UPNXLLFRHWCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-19(17,18)16-7-3-12(4-8-16)9-15(10-12)11-13-5-2-6-14-11/h2,5-6H,3-4,7-10H2,1H3.
What are the key properties of 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane?
7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 282.37 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3233832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).