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

C22H28N2O2S — CID 3232729

IUPAC9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C22H28N2O2S/c25-27(26,21-10-5-2-6-11-21)24-16-13-22(14-17-24)12-7-15-23(19-22)18-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2
InChIKeyXHVDQIFJFYDBLF-UHFFFAOYSA-N
MW384.54 g/mol
LogP3.75
Rot. Bonds4

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

9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane (PubChem CID 3232729) has the molecular formula C22H28N2O2S and a molecular weight of 384.54 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane
PubChem CID3232729
Molecular FormulaC22H28N2O2S
Molecular Weight384.54 g/mol
Exact Mass384.19
IUPAC Name9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CCCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C22H28N2O2S/c25-27(26,21-10-5-2-6-11-21)24-16-13-22(14-17-24)12-7-15-23(19-22)18-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2
InChIKeyXHVDQIFJFYDBLF-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane (CID 3232729) is 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane is O=S(=O)(c1ccccc1)N1CCC2(CCCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is XHVDQIFJFYDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c25-27(26,21-10-5-2-6-11-21)24-16-13-22(14-17-24)12-7-15-23(19-22)18-20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2.
What are the key properties of 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane?
9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 384.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2-benzyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3232729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).