2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one

C9H14N2O2S — CID 143147006

IUPAC2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
SMILES[H]/N=C1/NC(=O)C2(CCOC(C)(C)C2)S1
InChIInChI=1S/C9H14N2O2S/c1-8(2)5-9(3-4-13-8)6(12)11-7(10)14-9/h3-5H2,1-2H3,(H2,10,11,12)
InChIKeyPGSUDVSBIKPDMG-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.11
Rot. Bonds

About 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one

2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one (PubChem CID 143147006) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
PubChem CID143147006
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one
SMILES[H]/N=C1/NC(=O)C2(CCOC(C)(C)C2)S1
InChIInChI=1S/C9H14N2O2S/c1-8(2)5-9(3-4-13-8)6(12)11-7(10)14-9/h3-5H2,1-2H3,(H2,10,11,12)
InChIKeyPGSUDVSBIKPDMG-UHFFFAOYSA-N
XLogP1.11
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-1,7,7-trimethyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138388521
4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138390786
4-imino-7,7-dimethyl-1-prop-2-ynyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389975
7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359842
5-ethyl-2-imino-5-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 146674348
6,6-dimethyl-2-oxo-7-oxa-1-azaspiro[3.5]nonane-1-sulfonyl chloride
CID 64664495
2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
CID 6946481
1,3,5-dithiazinane-4,6-diimine
CID 176522482
2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 114497172
(4R)-2,2-dimethyl-4-phenyloxan-4-amine
CID 129406245
1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one
CID 66106138
2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114671404

Frequently Asked Questions

What is the IUPAC name of 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one?
The IUPAC name of 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one (CID 143147006) is 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one.
What is the SMILES notation for 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one?
The canonical SMILES for 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one is [H]/N=C1/NC(=O)C2(CCOC(C)(C)C2)S1.
What is the InChIKey of 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one?
The InChIKey is PGSUDVSBIKPDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-8(2)5-9(3-4-13-8)6(12)11-7(10)14-9/h3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one?
2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one has a molecular weight of 214.29 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-7,7-dimethyl-8-oxa-1-thia-3-azaspiro[4.5]decan-4-one is sourced from PubChem (CID 143147006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).