6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane

C10H20N2S — CID 114510574

IUPAC6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCCC1CNCCC12NCC(C)S2
InChIInChI=1S/C10H20N2S/c1-3-9-7-11-5-4-10(9)12-6-8(2)13-10/h8-9,11-12H,3-7H2,1-2H3
InChIKeyZOEOERQUHSEHKU-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.43
Rot. Bonds1

About 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane

6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 114510574) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane
PubChem CID114510574
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCCC1CNCCC12NCC(C)S2
InChIInChI=1S/C10H20N2S/c1-3-9-7-11-5-4-10(9)12-6-8(2)13-10/h8-9,11-12H,3-7H2,1-2H3
InChIKeyZOEOERQUHSEHKU-UHFFFAOYSA-N
XLogP1.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane (CID 114510574) is 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane is CCC1CNCCC12NCC(C)S2.
What is the InChIKey of 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is ZOEOERQUHSEHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-9-7-11-5-4-10(9)12-6-8(2)13-10/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane?
6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 200.35 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 114510574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).