ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate

C18H24N2O5S — CID 139039306

IUPACethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate
SMILESCCOC(=O)C[C@H]1CCN(S(=O)(=O)c2ccccc2)C[C@]12CCNC2=O
InChIInChI=1S/C18H24N2O5S/c1-2-25-16(21)12-14-8-11-20(13-18(14)9-10-19-17(18)22)26(23,24)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,19,22)/t14-,18-/m1/s1
InChIKeyWEIWNBBLUAILEC-RDTXWAMCSA-N
MW380.47 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate

ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate (PubChem CID 139039306) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate
PubChem CID139039306
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Nameethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate
SMILESCCOC(=O)C[C@H]1CCN(S(=O)(=O)c2ccccc2)C[C@]12CCNC2=O
InChIInChI=1S/C18H24N2O5S/c1-2-25-16(21)12-14-8-11-20(13-18(14)9-10-19-17(18)22)26(23,24)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,19,22)/t14-,18-/m1/s1
InChIKeyWEIWNBBLUAILEC-RDTXWAMCSA-N
XLogP1.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate with MolForge

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Related Compounds

N-Cyclohexyl-2-(2-fluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912673
N-Cyclohexyl-2-(2,4-difluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912677
N-Cyclohexyl-2-(3-fluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912682
N-Cyclohexyl-2-(3,5-difluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912686
N-Cyclohexyl-2-(2,5-difluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912695
N-Cyclohexyl-2-(4-methylbenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912685
Methyl 3-[[2-(benzenesulfonyl)-2-azaspiro[4.5]decane-4-carbonyl]amino]propanoate
CID 53183481
N-Cyclohexyl-2-(4-ethylbenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912693
N-Cyclohexyl-2-(3-methylbenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912696
1-(phenylsulfonyl)-N-(tetrahydro-2-furanylmethyl)-3-piperidinecarboxamide
CID 2972705
Methyl 6-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]hexanoate
CID 9221032
N-Cyclohexyl-2-(3,4-difluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate?
The IUPAC name of ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate (CID 139039306) is ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate.
What is the SMILES notation for ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate?
The canonical SMILES for ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate is CCOC(=O)C[C@H]1CCN(S(=O)(=O)c2ccccc2)C[C@]12CCNC2=O.
What is the InChIKey of ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate?
The InChIKey is WEIWNBBLUAILEC-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-2-25-16(21)12-14-8-11-20(13-18(14)9-10-19-17(18)22)26(23,24)15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,19,22)/t14-,18-/m1/s1.
What are the key properties of ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate?
ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate has a molecular weight of 380.47 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5S,6R)-9-(benzenesulfonyl)-1-oxo-2,9-diazaspiro[4.5]decan-6-yl]acetate is sourced from PubChem (CID 139039306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).