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

C18H22N2O3S — CID 91909774

IUPAC4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)C12CCN(C(=O)C1(c3ccccc3)CC1)CC2
InChIInChI=1S/C18H22N2O3S/c1-19-15(21)13-24(23)18(19)9-11-20(12-10-18)16(22)17(7-8-17)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyPRABLKSZZWFTDA-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.26
Rot. Bonds2

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

4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91909774) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91909774
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCN1C(=O)CS(=O)C12CCN(C(=O)C1(c3ccccc3)CC1)CC2
InChIInChI=1S/C18H22N2O3S/c1-19-15(21)13-24(23)18(19)9-11-20(12-10-18)16(22)17(7-8-17)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyPRABLKSZZWFTDA-UHFFFAOYSA-N
XLogP1.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91909774) is 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is CN1C(=O)CS(=O)C12CCN(C(=O)C1(c3ccccc3)CC1)CC2.
What is the InChIKey of 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PRABLKSZZWFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-19-15(21)13-24(23)18(19)9-11-20(12-10-18)16(22)17(7-8-17)14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one?
4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 346.45 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxo-8-(1-phenylcyclopropanecarbonyl)-1λ4-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91909774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).