1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one

C15H23NO2S — CID 70009885

IUPAC1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one
SMILESCSC1(C(=O)C(C)N2CCOCC2)C=CC=CC1C
InChIInChI=1S/C15H23NO2S/c1-12-6-4-5-7-15(12,19-3)14(17)13(2)16-8-10-18-11-9-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIYMLQCISIGLMQD-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.14
Rot. Bonds4

About 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one

1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 70009885) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID70009885
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one
SMILESCSC1(C(=O)C(C)N2CCOCC2)C=CC=CC1C
InChIInChI=1S/C15H23NO2S/c1-12-6-4-5-7-15(12,19-3)14(17)13(2)16-8-10-18-11-9-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIYMLQCISIGLMQD-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one (CID 70009885) is 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one is CSC1(C(=O)C(C)N2CCOCC2)C=CC=CC1C.
What is the InChIKey of 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is IYMLQCISIGLMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-6-4-5-7-15(12,19-3)14(17)13(2)16-8-10-18-11-9-16/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one?
1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 281.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 70009885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).