N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine

C11H20N2S — CID 135977348

IUPACN-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCC/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C11H20N2S/c1-2-8-12-10-13-11(9-14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13)
InChIKeyPLORTWBDIAJKNY-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.79
Rot. Bonds2

About N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine

N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 135977348) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID135977348
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-propyl-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESCCC/N=C1/NC2(CCCCC2)CS1
InChIInChI=1S/C11H20N2S/c1-2-8-12-10-13-11(9-14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13)
InChIKeyPLORTWBDIAJKNY-UHFFFAOYSA-N
XLogP2.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine (CID 135977348) is N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine is CCC/N=C1/NC2(CCCCC2)CS1.
What is the InChIKey of N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is PLORTWBDIAJKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-8-12-10-13-11(9-14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13).
What are the key properties of N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine?
N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 212.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 135977348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).