N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine

C11H20N2S — CID 90671457

IUPACN-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
SMILESCCNC1=NCCC2(CCCCC2)S1
InChIInChI=1S/C11H20N2S/c1-2-12-10-13-9-8-11(14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13)
InChIKeyNFYHDIQLTXCTJM-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.79
Rot. Bonds1

About N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine

N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine (PubChem CID 90671457) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
PubChem CID90671457
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
SMILESCCNC1=NCCC2(CCCCC2)S1
InChIInChI=1S/C11H20N2S/c1-2-12-10-13-9-8-11(14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13)
InChIKeyNFYHDIQLTXCTJM-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
1-Thia-3-aza-spiro[5.5]undec-2-en-2-ylamine
CID 90671451
Methyl-(1-thia-3-aza-spiro[5.5]undec-2-en-2-yl)-amine
CID 136502356
N-[(1R,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2376071
rac-N-[(1R,2R)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2376072
N-[(1S,2S)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2376073
N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2376075
N-(5-methylheptyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3611366
N-[(5R)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 7062704
N-[(5S)-5-methylheptyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 7062705
N-(4-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068315
N-(3-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43370589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine?
The IUPAC name of N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine (CID 90671457) is N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine.
What is the SMILES notation for N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine?
The canonical SMILES for N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine is CCNC1=NCCC2(CCCCC2)S1.
What is the InChIKey of N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine?
The InChIKey is NFYHDIQLTXCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-12-10-13-9-8-11(14-10)6-4-3-5-7-11/h2-9H2,1H3,(H,12,13).
What are the key properties of N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine?
N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-thia-3-azaspiro[5.5]undec-2-en-2-amine is sourced from PubChem (CID 90671457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).