8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide

C10H20N2OS — CID 157040828

IUPAC8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide
SMILES[H]N=S1(=O)CCC2(CCN(CC)CC2)C1
InChIInChI=1S/C10H20N2OS/c1-2-12-6-3-10(4-7-12)5-8-14(11,13)9-10/h11H,2-9H2,1H3
InChIKeyNMUNIXSKAYENHB-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.54
Rot. Bonds1

About 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide

8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide (PubChem CID 157040828) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide.

Molecular Properties

Compound Name8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide
PubChem CID157040828
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide
SMILES[H]N=S1(=O)CCC2(CCN(CC)CC2)C1
InChIInChI=1S/C10H20N2OS/c1-2-12-6-3-10(4-7-12)5-8-14(11,13)9-10/h11H,2-9H2,1H3
InChIKeyNMUNIXSKAYENHB-UHFFFAOYSA-N
XLogP1.54
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide?
The IUPAC name of 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide (CID 157040828) is 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide.
What is the SMILES notation for 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide?
The canonical SMILES for 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide is [H]N=S1(=O)CCC2(CCN(CC)CC2)C1.
What is the InChIKey of 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide?
The InChIKey is NMUNIXSKAYENHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-12-6-3-10(4-7-12)5-8-14(11,13)9-10/h11H,2-9H2,1H3.
What are the key properties of 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide?
8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide has a molecular weight of 216.35 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-imino-2λ6-thia-8-azaspiro[4.5]decane 2-oxide is sourced from PubChem (CID 157040828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).