2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane

C10H18N2S — CID 167067608

IUPAC2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane
SMILESC=C1NC2(CCNCC2)SC1CC
InChIInChI=1S/C10H18N2S/c1-3-9-8(2)12-10(13-9)4-6-11-7-5-10/h9,11-12H,2-7H2,1H3
InChIKeyHPVKZWPPZLRLOV-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.69
Rot. Bonds1

About 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane

2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 167067608) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane
PubChem CID167067608
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane
SMILESC=C1NC2(CCNCC2)SC1CC
InChIInChI=1S/C10H18N2S/c1-3-9-8(2)12-10(13-9)4-6-11-7-5-10/h9,11-12H,2-7H2,1H3
InChIKeyHPVKZWPPZLRLOV-UHFFFAOYSA-N
XLogP1.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane (CID 167067608) is 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane is C=C1NC2(CCNCC2)SC1CC.
What is the InChIKey of 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is HPVKZWPPZLRLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-9-8(2)12-10(13-9)4-6-11-7-5-10/h9,11-12H,2-7H2,1H3.
What are the key properties of 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane?
2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 198.33 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylidene-1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 167067608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).