7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine

C13H24N2OS2 — CID 136930287

IUPAC7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC2(CS/C(=N\CCCS(C)=O)N2)C1
InChIInChI=1S/C13H24N2OS2/c1-11-5-3-6-13(9-11)10-17-12(15-13)14-7-4-8-18(2)16/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyUIMFWWBKUHRYEU-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.40
Rot. Bonds4

About 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine

7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136930287) has the molecular formula C13H24N2OS2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound Name7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136930287
Molecular FormulaC13H24N2OS2
Molecular Weight288.48 g/mol
Exact Mass288.13
IUPAC Name7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCC1CCCC2(CS/C(=N\CCCS(C)=O)N2)C1
InChIInChI=1S/C13H24N2OS2/c1-11-5-3-6-13(9-11)10-17-12(15-13)14-7-4-8-18(2)16/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyUIMFWWBKUHRYEU-UHFFFAOYSA-N
XLogP2.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136930287) is 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine is CC1CCCC2(CS/C(=N\CCCS(C)=O)N2)C1.
What is the InChIKey of 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is UIMFWWBKUHRYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS2/c1-11-5-3-6-13(9-11)10-17-12(15-13)14-7-4-8-18(2)16/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine?
7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 288.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methylsulfinylpropyl)-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136930287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).