9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane

C20H25N3O2S — CID 3234057

IUPAC9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccncc3)C2)CC1
InChIInChI=1S/C20H25N3O2S/c24-26(25,19-5-2-1-3-6-19)23-15-10-20(11-16-23)9-4-14-22(17-20)18-7-12-21-13-8-18/h1-3,5-8,12-13H,4,9-11,14-17H2
InChIKeyOSWPHAFWMSAQAD-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.15
Rot. Bonds3

About 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane

9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 3234057) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
PubChem CID3234057
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccncc3)C2)CC1
InChIInChI=1S/C20H25N3O2S/c24-26(25,19-5-2-1-3-6-19)23-15-10-20(11-16-23)9-4-14-22(17-20)18-7-12-21-13-8-18/h1-3,5-8,12-13H,4,9-11,14-17H2
InChIKeyOSWPHAFWMSAQAD-UHFFFAOYSA-N
XLogP3.15
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane (CID 3234057) is 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane is O=S(=O)(c1ccccc1)N1CCC2(CCCN(c3ccncc3)C2)CC1.
What is the InChIKey of 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is OSWPHAFWMSAQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-26(25,19-5-2-1-3-6-19)23-15-10-20(11-16-23)9-4-14-22(17-20)18-7-12-21-13-8-18/h1-3,5-8,12-13H,4,9-11,14-17H2.
What are the key properties of 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane?
9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 371.51 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3234057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).