N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine

C11H20N2S2 — CID 136963337

IUPACN-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCSCC(C)/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C11H20N2S2/c1-9(7-14-2)12-10-13-11(8-15-10)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyULPXNWFUQBNQQC-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.74
Rot. Bonds3

About N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine

N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine (PubChem CID 136963337) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
PubChem CID136963337
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC NameN-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine
SMILESCSCC(C)/N=C1/NC2(CCCC2)CS1
InChIInChI=1S/C11H20N2S2/c1-9(7-14-2)12-10-13-11(8-15-10)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyULPXNWFUQBNQQC-UHFFFAOYSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine (CID 136963337) is N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine is CSCC(C)/N=C1/NC2(CCCC2)CS1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
The InChIKey is ULPXNWFUQBNQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-9(7-14-2)12-10-13-11(8-15-10)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine?
N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine has a molecular weight of 244.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)-3-thia-1-azaspiro[4.4]nonan-2-imine is sourced from PubChem (CID 136963337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).