8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

C19H26N2O4S — CID 72852577

IUPAC8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H26N2O4S/c1-2-20-15-19(14-18(20)23)9-11-21(12-10-19)17(22)8-13-26(24,25)16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3
InChIKeyHLMLIXUZNCBWQR-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.71
Rot. Bonds5

About 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one

8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72852577) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72852577
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H26N2O4S/c1-2-20-15-19(14-18(20)23)9-11-21(12-10-19)17(22)8-13-26(24,25)16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3
InChIKeyHLMLIXUZNCBWQR-UHFFFAOYSA-N
XLogP1.71
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one 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-(benzenesulfonyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80702618
1-(4-acetylpiperazin-1-yl)-3-(benzenesulfonyl)propan-1-one
CID 110294965
3-(benzenesulfonyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17310128
3-(benzenesulfonyl)-1-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]propan-1-one
CID 74234702
2-ethyl-8-[2-[(1S)-2,2,2-trifluoro-1-phenylethoxy]acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97277244
8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 155873513
8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154898542
3-(benzenesulfonyl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 17310076
1-(azepan-1-yl)-3-(4-phenylphenyl)sulfonylpropan-1-one
CID 110675677
propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72918682
3-(benzenesulfonyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 17449768
1-[3-(benzenesulfonyl)propanoyl]-1,4-diazepan-5-one
CID 62045405

Frequently Asked Questions

What is the IUPAC name of 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one (CID 72852577) is 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)CC1=O.
What is the InChIKey of 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is HLMLIXUZNCBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-2-20-15-19(14-18(20)23)9-11-21(12-10-19)17(22)8-13-26(24,25)16-6-4-3-5-7-16/h3-7H,2,8-15H2,1H3.
What are the key properties of 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one?
8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 378.49 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(benzenesulfonyl)propanoyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72852577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).