N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C11H19N3O3S — CID 110197130

IUPACN-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)N(C)C(=O)CS2=O
InChIInChI=1S/C11H19N3O3S/c1-3-12-10(16)14-6-4-11(5-7-14)13(2)9(15)8-18(11)17/h3-8H2,1-2H3,(H,12,16)
InChIKeyZQBOFYCXICBIJT-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.27
Rot. Bonds1

About N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 110197130) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID110197130
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)N(C)C(=O)CS2=O
InChIInChI=1S/C11H19N3O3S/c1-3-12-10(16)14-6-4-11(5-7-14)13(2)9(15)8-18(11)17/h3-8H2,1-2H3,(H,12,16)
InChIKeyZQBOFYCXICBIJT-UHFFFAOYSA-N
XLogP-0.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 110197130) is N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CCNC(=O)N1CCC2(CC1)N(C)C(=O)CS2=O.
What is the InChIKey of N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is ZQBOFYCXICBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-12-10(16)14-6-4-11(5-7-14)13(2)9(15)8-18(11)17/h3-8H2,1-2H3,(H,12,16).
What are the key properties of N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 273.36 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1,3-dioxo-1λ4-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 110197130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).