N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide

C16H26N2O4S — CID 138010392

IUPACN-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
SMILESO=C(NCC1=CCCCC1)N1CCOC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C16H26N2O4S/c19-15(17-12-14-4-2-1-3-5-14)18-8-9-22-16(13-18)6-10-23(20,21)11-7-16/h4H,1-3,5-13H2,(H,17,19)
InChIKeyCJNYCADCMGLZSG-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.48
Rot. Bonds2

About N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide

N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide (PubChem CID 138010392) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
PubChem CID138010392
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
SMILESO=C(NCC1=CCCCC1)N1CCOC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C16H26N2O4S/c19-15(17-12-14-4-2-1-3-5-14)18-8-9-22-16(13-18)6-10-23(20,21)11-7-16/h4H,1-3,5-13H2,(H,17,19)
InChIKeyCJNYCADCMGLZSG-UHFFFAOYSA-N
XLogP1.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylfuran-2-yl)methyl]-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 138049695
2-(cyclohexen-1-yl)-1-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanone
CID 127892280
N-[[4-[(S)-methylsulfinyl]phenyl]methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234226
N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234225
N-(cyclohexen-1-ylmethyl)-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 128685706
N-[(3-nitrophenyl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71916006
N-[(4-methylphenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 128783740
1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 107855976
N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771105
N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771103
N-(1-cyclobutylethyl)-9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 146114368
N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 74236074

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide (CID 138010392) is N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide is O=C(NCC1=CCCCC1)N1CCOC2(CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide?
The InChIKey is CJNYCADCMGLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c19-15(17-12-14-4-2-1-3-5-14)18-8-9-22-16(13-18)6-10-23(20,21)11-7-16/h4H,1-3,5-13H2,(H,17,19).
What are the key properties of N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide?
N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-9,9-dioxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 138010392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).