5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine

C8H16N2O2S — CID 165485789

IUPAC5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine
SMILESCCN1C2(CCC2)C(N)CS1(=O)=O
InChIInChI=1S/C8H16N2O2S/c1-2-10-8(4-3-5-8)7(9)6-13(10,11)12/h7H,2-6,9H2,1H3
InChIKeyQXHRRSDFFFDEEV-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.10
Rot. Bonds1

About 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine

5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine (PubChem CID 165485789) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine.

Molecular Properties

Compound Name5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine
PubChem CID165485789
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine
SMILESCCN1C2(CCC2)C(N)CS1(=O)=O
InChIInChI=1S/C8H16N2O2S/c1-2-10-8(4-3-5-8)7(9)6-13(10,11)12/h7H,2-6,9H2,1H3
InChIKeyQXHRRSDFFFDEEV-UHFFFAOYSA-N
XLogP-0.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-amine
CID 165475343
4,4-diethoxy-1-methylpiperidin-3-amine
CID 11953520
6,6-dimethyl-1,1-dioxothiepan-2-amine
CID 91466096
2-ethyl-4,4-dimethylthiazinane 1,1-dioxide
CID 89365398
2-ethyl-4-methyl-4-azaspiro[2.4]heptane
CID 170608131
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine
CID 170338878
2,2-dimethyl-1,1-dioxothietan-3-amine
CID 75525635
[2-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]methanamine
CID 115309188
1,1-dimethylcyclobutane;vanadium
CID 158712416
1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
CID 104549905
1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine
CID 165464227

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine?
The IUPAC name of 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine (CID 165485789) is 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine.
What is the SMILES notation for 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine?
The canonical SMILES for 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine is CCN1C2(CCC2)C(N)CS1(=O)=O.
What is the InChIKey of 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine?
The InChIKey is QXHRRSDFFFDEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-2-10-8(4-3-5-8)7(9)6-13(10,11)12/h7H,2-6,9H2,1H3.
What are the key properties of 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine?
5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine has a molecular weight of 204.29 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine is sourced from PubChem (CID 165485789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).