2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one

C15H25NO2S — CID 171432218

IUPAC2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one
SMILESCSC1=CCC(C(=O)C(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C15H25NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h6,12H,4-5,7-11H2,1-3H3
InChIKeyAIGNBELXBBWFMO-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.71
Rot. Bonds4

About 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one

2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 171432218) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID171432218
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one
SMILESCSC1=CCC(C(=O)C(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C15H25NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h6,12H,4-5,7-11H2,1-3H3
InChIKeyAIGNBELXBBWFMO-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one (CID 171432218) is 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one is CSC1=CCC(C(=O)C(C)(C)N2CCOCC2)CC1.
What is the InChIKey of 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is AIGNBELXBBWFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h6,12H,4-5,7-11H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one?
2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 283.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 171432218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).