8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C14H20N4O4S — CID 91923788

IUPAC8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCn1nccc1C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C14H20N4O4S/c1-3-18-11(4-7-15-18)13(20)17-8-5-14(6-9-17)16(2)12(19)10-23(14,21)22/h4,7H,3,5-6,8-10H2,1-2H3
InChIKeyWGUYGEWAFGNTKZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP-0.28
Rot. Bonds2

About 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923788) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923788
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCCn1nccc1C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O
InChIInChI=1S/C14H20N4O4S/c1-3-18-11(4-7-15-18)13(20)17-8-5-14(6-9-17)16(2)12(19)10-23(14,21)22/h4,7H,3,5-6,8-10H2,1-2H3
InChIKeyWGUYGEWAFGNTKZ-UHFFFAOYSA-N
XLogP-0.28
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923788) is 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is CCn1nccc1C(=O)N1CCC2(CC1)N(C)C(=O)CS2(=O)=O.
What is the InChIKey of 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is WGUYGEWAFGNTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-3-18-11(4-7-15-18)13(20)17-8-5-14(6-9-17)16(2)12(19)10-23(14,21)22/h4,7H,3,5-6,8-10H2,1-2H3.
What are the key properties of 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 340.41 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylpyrazole-3-carbonyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).