N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C11H20N2S — CID 103967550

IUPACN-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C11H20N2S/c1-2-12-10-13-8-11(9-14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13)
InChIKeyQNNPMYFPGPMFLH-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.65
Rot. Bonds1

About N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967550) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967550
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C11H20N2S/c1-2-12-10-13-8-11(9-14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13)
InChIKeyQNNPMYFPGPMFLH-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-(1,3-thiazolan-2-yliden)-3,3,5-trimethylcyclohexan-1-amine
CID 2731009
N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
Ethyl-(1-thia-3-aza-spiro[5.5]undec-2-en-2-yl)-amine
CID 90671457
Methyl-(1-thia-3-aza-spiro[5.5]undec-2-en-2-yl)-amine
CID 136502356
N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967598
N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967876
N-(2,2-difluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968008
N-(4,4,4-trifluorobutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968009
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-(4,4,4-trifluorobutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105943244
N-(2,2,3,3-tetrafluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 106294928
N-[2-(trifluoromethylsulfanyl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 106431809

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967550) is N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is QNNPMYFPGPMFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-12-10-13-8-11(9-14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13).
What are the key properties of N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 212.36 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).