9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

C19H24N4O2S — CID 3232738

IUPAC9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C19H24N4O2S/c24-26(25,17-6-2-1-3-7-17)23-14-9-19(10-15-23)8-4-13-22(16-19)18-20-11-5-12-21-18/h1-3,5-7,11-12H,4,8-10,13-16H2
InChIKeyBUCNVIFSIULBLP-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.55
Rot. Bonds3

About 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 3232738) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID3232738
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C19H24N4O2S/c24-26(25,17-6-2-1-3-7-17)23-14-9-19(10-15-23)8-4-13-22(16-19)18-20-11-5-12-21-18/h1-3,5-7,11-12H,4,8-10,13-16H2
InChIKeyBUCNVIFSIULBLP-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (CID 3232738) is 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is BUCNVIFSIULBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-26(25,17-6-2-1-3-7-17)23-14-9-19(10-15-23)8-4-13-22(16-19)18-20-11-5-12-21-18/h1-3,5-7,11-12H,4,8-10,13-16H2.
What are the key properties of 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 372.49 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3232738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).