8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

C13H20N2O3S — CID 110197136

IUPAC8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)N1CCC2(CC1)N(CC1CC1)C(=O)CS2=O
InChIInChI=1S/C13H20N2O3S/c1-10(16)14-6-4-13(5-7-14)15(8-11-2-3-11)12(17)9-19(13)18/h11H,2-9H2,1H3
InChIKeyBCTKWBHUUXKCTP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.33
Rot. Bonds2

About 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one

8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 110197136) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID110197136
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(=O)N1CCC2(CC1)N(CC1CC1)C(=O)CS2=O
InChIInChI=1S/C13H20N2O3S/c1-10(16)14-6-4-13(5-7-14)15(8-11-2-3-11)12(17)9-19(13)18/h11H,2-9H2,1H3
InChIKeyBCTKWBHUUXKCTP-UHFFFAOYSA-N
XLogP0.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-8-(3-methylbutanoyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
CID 91923749
8-Isobutyryl-4-methyl-1lambda-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
CID 91923752
4-Methyl-8-(4-methylpentanoyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
CID 91923766
4-(Cyclopropylmethyl)-1-oxo-1lambda4-thia-4,8-diazaspiro[4.5]decan-3-one
CID 110197134
2-Methyl-1-[4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 42773978
1-Thia-4,8-diazaspiro[4.5]decan-3-one, 4,8-dimethyl-
CID 45096689
4,8-Diethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 88943876
4,8-Dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane
CID 143985171
4,8-Dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane;propane
CID 145701531
1-(4-Acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
CID 169318381
1-(4-Methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 169318404
1-(4-Acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 169318443

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 110197136) is 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is CC(=O)N1CCC2(CC1)N(CC1CC1)C(=O)CS2=O.
What is the InChIKey of 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BCTKWBHUUXKCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(16)14-6-4-13(5-7-14)15(8-11-2-3-11)12(17)9-19(13)18/h11H,2-9H2,1H3.
What are the key properties of 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 284.38 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-4-(cyclopropylmethyl)-1-oxo-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 110197136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).