1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone

C18H22N2O4S — CID 146114421

IUPAC1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCC(=O)N1CC2(C1)C(C(=O)N1CC(c3ccccc3)C1)CCS2(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-13(21)20-11-18(12-20)16(7-8-25(18,23)24)17(22)19-9-15(10-19)14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3
InChIKeyUTCUMSOHNRJVFW-UHFFFAOYSA-N
MW362.45 g/mol
LogP0.65
Rot. Bonds2

About 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone

1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 146114421) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID146114421
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCC(=O)N1CC2(C1)C(C(=O)N1CC(c3ccccc3)C1)CCS2(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-13(21)20-11-18(12-20)16(7-8-25(18,23)24)17(22)19-9-15(10-19)14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3
InChIKeyUTCUMSOHNRJVFW-UHFFFAOYSA-N
XLogP0.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone with MolForge

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Related Compounds

1-[8-(7,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 167860489
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 97152789
1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146150629
1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
CID 43745998
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 39581896
[(3S)-1,1-dioxothiolan-3-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 126442770
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 95592150
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859

Frequently Asked Questions

What is the IUPAC name of 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone (CID 146114421) is 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone is CC(=O)N1CC2(C1)C(C(=O)N1CC(c3ccccc3)C1)CCS2(=O)=O.
What is the InChIKey of 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is UTCUMSOHNRJVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(21)20-11-18(12-20)16(7-8-25(18,23)24)17(22)19-9-15(10-19)14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3.
What are the key properties of 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone?
1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 362.45 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,5-dioxo-8-(3-phenylazetidine-1-carbonyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 146114421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).