1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C16H22N2O3S — CID 97385294

IUPAC1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C16H22N2O3S/c1-14(19)17-10-7-16(13-17)8-11-18(12-9-16)22(20,21)15-5-3-2-4-6-15/h2-6H,7-13H2,1H3
InChIKeyOXVDPMHZBIKOGM-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.71
Rot. Bonds2

About 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 97385294) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID97385294
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C16H22N2O3S/c1-14(19)17-10-7-16(13-17)8-11-18(12-9-16)22(20,21)15-5-3-2-4-6-15/h2-6H,7-13H2,1H3
InChIKeyOXVDPMHZBIKOGM-UHFFFAOYSA-N
XLogP1.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone 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

9-(benzenesulfonyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 3233376
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1-[(6R)-8-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 97449128
1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 134077394
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233457
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
8-(benzenesulfonyl)-2-(6-methoxypyridazin-3-yl)-2,8-diazaspiro[4.5]decane
CID 123981470
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-(benzenesulfonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 5001524

Frequently Asked Questions

What is the IUPAC name of 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 97385294) is 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is OXVDPMHZBIKOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-14(19)17-10-7-16(13-17)8-11-18(12-9-16)22(20,21)15-5-3-2-4-6-15/h2-6H,7-13H2,1H3.
What are the key properties of 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 97385294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).