2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane

C13H18N2O2S — CID 82038202

IUPAC2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C13H18N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-13(11-15)6-8-14-10-13/h1-5,14H,6-11H2
InChIKeyUTHFUHYFUBCEIF-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.06
Rot. Bonds2

About 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane

2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 82038202) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
PubChem CID82038202
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C13H18N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-13(11-15)6-8-14-10-13/h1-5,14H,6-11H2
InChIKeyUTHFUHYFUBCEIF-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane (CID 82038202) is 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane is O=S(=O)(c1ccccc1)N1CCC2(CCNC2)C1.
What is the InChIKey of 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is UTHFUHYFUBCEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-13(11-15)6-8-14-10-13/h1-5,14H,6-11H2.
What are the key properties of 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane?
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 266.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 82038202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).