8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride

C8H13ClN2O2S — CID 45260773

IUPAC8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
SMILESCN1CCC2(CC1)OC(=S)NC2=O.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-10-4-2-8(3-5-10)6(11)9-7(13)12-8;/h2-5H2,1H3,(H,9,11,13);1H
InChIKeyWAHUKPUVNBKPSX-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.30
Rot. Bonds

About 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride

8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 45260773) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID45260773
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
SMILESCN1CCC2(CC1)OC(=S)NC2=O.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-10-4-2-8(3-5-10)6(11)9-7(13)12-8;/h2-5H2,1H3,(H,9,11,13);1H
InChIKeyWAHUKPUVNBKPSX-UHFFFAOYSA-N
XLogP0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride (CID 45260773) is 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride is CN1CCC2(CC1)OC(=S)NC2=O.Cl.
What is the InChIKey of 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is WAHUKPUVNBKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.ClH/c1-10-4-2-8(3-5-10)6(11)9-7(13)12-8;/h2-5H2,1H3,(H,9,11,13);1H.
What are the key properties of 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 45260773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).