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

C12H21ClN2O2S — CID 45264553

IUPAC3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
SMILESCN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-11(2,3)14-9(15)12(16-10(14)17)5-7-13(4)8-6-12;/h5-8H2,1-4H3;1H
InChIKeyCKHFXNJWQBCJEV-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.81
Rot. Bonds

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

3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 45264553) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID45264553
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC Name3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride
SMILESCN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-11(2,3)14-9(15)12(16-10(14)17)5-7-13(4)8-6-12;/h5-8H2,1-4H3;1H
InChIKeyCKHFXNJWQBCJEV-UHFFFAOYSA-N
XLogP1.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride (CID 45264553) is 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride is CN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O.Cl.
What is the InChIKey of 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is CKHFXNJWQBCJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-11(2,3)14-9(15)12(16-10(14)17)5-7-13(4)8-6-12;/h5-8H2,1-4H3;1H.
What are the key properties of 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride?
3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 45264553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).