4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one

C15H18ClNO2S — CID 88790827

IUPAC4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCC1SC2(CCCCC2)N(Oc2ccccc2Cl)C1=O
InChIInChI=1S/C15H18ClNO2S/c1-11-14(18)17(15(20-11)9-5-2-6-10-15)19-13-8-4-3-7-12(13)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyOKZOZEROUFGRQX-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.26
Rot. Bonds2

About 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one

4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one (PubChem CID 88790827) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
PubChem CID88790827
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one
SMILESCC1SC2(CCCCC2)N(Oc2ccccc2Cl)C1=O
InChIInChI=1S/C15H18ClNO2S/c1-11-14(18)17(15(20-11)9-5-2-6-10-15)19-13-8-4-3-7-12(13)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyOKZOZEROUFGRQX-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one (CID 88790827) is 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one is CC1SC2(CCCCC2)N(Oc2ccccc2Cl)C1=O.
What is the InChIKey of 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
The InChIKey is OKZOZEROUFGRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-11-14(18)17(15(20-11)9-5-2-6-10-15)19-13-8-4-3-7-12(13)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one?
4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one has a molecular weight of 311.83 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-2-methyl-1-thia-4-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 88790827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).