7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane

C20H24N2O2S — CID 3233414

IUPAC7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)C2
InChIInChI=1S/C20H24N2O2S/c23-25(24,19-9-5-2-6-10-19)22-13-11-20(12-14-22)16-21(17-20)15-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyYXJXCVDLLIZERZ-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.97
Rot. Bonds4

About 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane

7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane (PubChem CID 3233414) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane
PubChem CID3233414
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)C2
InChIInChI=1S/C20H24N2O2S/c23-25(24,19-9-5-2-6-10-19)22-13-11-20(12-14-22)16-21(17-20)15-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyYXJXCVDLLIZERZ-UHFFFAOYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclotriazadisulfonamide
CID 466371
N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737
4-Benzenesulfonyl-1-benzyl-piperidine
CID 11120635
1-(Benzenesulfonyl)-4-benzylpiperidine
CID 727417
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
N-benzyl-N-[2-(dimethylamino)ethyl]-4-iodobenzenesulfonamide
CID 3763575
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4794396

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane (CID 3233414) is 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane is O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)C2.
What is the InChIKey of 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is YXJXCVDLLIZERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-25(24,19-9-5-2-6-10-19)22-13-11-20(12-14-22)16-21(17-20)15-18-7-3-1-4-8-18/h1-10H,11-17H2.
What are the key properties of 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane?
7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 356.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-benzyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3233414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).