N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide

C18H24N2O4S — CID 132972173

IUPACN-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCN1C(=O)CC2(CCCC2)C1=O)Cc1ccccc1
InChIInChI=1S/C18H24N2O4S/c1-25(23,24)19(14-15-7-3-2-4-8-15)11-12-20-16(21)13-18(17(20)22)9-5-6-10-18/h2-4,7-8H,5-6,9-14H2,1H3
InChIKeyZENJPFWDTILQJN-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.77
Rot. Bonds6

About N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide

N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide (PubChem CID 132972173) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide
PubChem CID132972173
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCN1C(=O)CC2(CCCC2)C1=O)Cc1ccccc1
InChIInChI=1S/C18H24N2O4S/c1-25(23,24)19(14-15-7-3-2-4-8-15)11-12-20-16(21)13-18(17(20)22)9-5-6-10-18/h2-4,7-8H,5-6,9-14H2,1H3
InChIKeyZENJPFWDTILQJN-UHFFFAOYSA-N
XLogP1.77
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 110670077
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9244980
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 97407980
N-benzyl-N-[2-(2-oxo-1,3,4-thiadiazol-3-yl)ethyl]methanesulfonamide
CID 99825117
N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide
CID 75448253
N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide
CID 100616340
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9243588
2-benzyl-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
CID 118741619
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
1'-[2-[benzyl(methyl)amino]ethyl]spiro[cyclopentane-1,3'-indole]-2'-one
CID 54487789
2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione
CID 43589447

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide (CID 132972173) is N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide is CS(=O)(=O)N(CCN1C(=O)CC2(CCCC2)C1=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide?
The InChIKey is ZENJPFWDTILQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-25(23,24)19(14-15-7-3-2-4-8-15)11-12-20-16(21)13-18(17(20)22)9-5-6-10-18/h2-4,7-8H,5-6,9-14H2,1H3.
What are the key properties of N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide?
N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 132972173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).