8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane

C15H21NO2S — CID 165097297

IUPAC8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane
SMILESO=S(=O)(CC1CCC2(CCNC2)C1)c1ccccc1
InChIInChI=1S/C15H21NO2S/c17-19(18,14-4-2-1-3-5-14)11-13-6-7-15(10-13)8-9-16-12-15/h1-5,13,16H,6-12H2
InChIKeyCSTGQMOEKLMSAZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.24
Rot. Bonds3

About 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane

8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane (PubChem CID 165097297) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane
PubChem CID165097297
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane
SMILESO=S(=O)(CC1CCC2(CCNC2)C1)c1ccccc1
InChIInChI=1S/C15H21NO2S/c17-19(18,14-4-2-1-3-5-14)11-13-6-7-15(10-13)8-9-16-12-15/h1-5,13,16H,6-12H2
InChIKeyCSTGQMOEKLMSAZ-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane 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

3-(Phenylsulfonyl)pyrrolidine
CID 3614203
3-Phenylmethanesulfonylpyrrolidine hydrochloride
CID 72716327
(3S,4R)-N-cyclopentyl-4-(phenylsulfonyl)tetrahydrothiophen-3-amine 1,1-dioxide
CID 20897730
3-[4-(3-Fluorophenyl)sulfonylcyclohexa-1,4-dien-1-yl]pyrrolidine
CID 91411877
(4R)-4-(4-fluorophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 174917940
8-[[3-(Trifluoromethylsulfonyl)phenyl]methyl]-2-azaspiro[4.4]nonane
CID 177182605
2-[2-(4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
CID 79580957
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
N-ethyl-2-[2-(4-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581183
2-[2-(2-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
CID 79582110
2-[2-(4-fluorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587198
2-[2-(2-fluorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587301

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane?
The IUPAC name of 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane (CID 165097297) is 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane.
What is the SMILES notation for 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane?
The canonical SMILES for 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane is O=S(=O)(CC1CCC2(CCNC2)C1)c1ccccc1.
What is the InChIKey of 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane?
The InChIKey is CSTGQMOEKLMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-19(18,14-4-2-1-3-5-14)11-13-6-7-15(10-13)8-9-16-12-15/h1-5,13,16H,6-12H2.
What are the key properties of 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane?
8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane has a molecular weight of 279.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonylmethyl)-2-azaspiro[4.4]nonane is sourced from PubChem (CID 165097297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).