8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one

C10H16N2OS — CID 82996588

IUPAC8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
SMILESCCC1CCC2(CC1)NC(=S)NC2=O
InChIInChI=1S/C10H16N2OS/c1-2-7-3-5-10(6-4-7)8(13)11-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyBFHAXJLJCBGZHA-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.33
Rot. Bonds1

About 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one

8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 82996588) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
PubChem CID82996588
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
SMILESCCC1CCC2(CC1)NC(=S)NC2=O
InChIInChI=1S/C10H16N2OS/c1-2-7-3-5-10(6-4-7)8(13)11-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyBFHAXJLJCBGZHA-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one (CID 82996588) is 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one is CCC1CCC2(CC1)NC(=S)NC2=O.
What is the InChIKey of 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is BFHAXJLJCBGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-7-3-5-10(6-4-7)8(13)11-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one?
8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one has a molecular weight of 212.32 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 82996588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).