9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane

C15H28N2S — CID 91192321

IUPAC9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane
SMILESCSN1CCC2(CC1)CCC(C)(N1CCC1)CC2
InChIInChI=1S/C15H28N2S/c1-14(16-10-3-11-16)4-6-15(7-5-14)8-12-17(18-2)13-9-15/h3-13H2,1-2H3
InChIKeyJHYDBWCKLHYKKV-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.38
Rot. Bonds2

About 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane

9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane (PubChem CID 91192321) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane
PubChem CID91192321
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane
SMILESCSN1CCC2(CC1)CCC(C)(N1CCC1)CC2
InChIInChI=1S/C15H28N2S/c1-14(16-10-3-11-16)4-6-15(7-5-14)8-12-17(18-2)13-9-15/h3-13H2,1-2H3
InChIKeyJHYDBWCKLHYKKV-UHFFFAOYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane 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 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane (CID 91192321) is 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane is CSN1CCC2(CC1)CCC(C)(N1CCC1)CC2.
What is the InChIKey of 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane?
The InChIKey is JHYDBWCKLHYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-14(16-10-3-11-16)4-6-15(7-5-14)8-12-17(18-2)13-9-15/h3-13H2,1-2H3.
What are the key properties of 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane?
9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane has a molecular weight of 268.47 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 91192321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).