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

C15H23NO2S — CID 139785064

IUPAC2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one
SMILESCSC1(C(=O)C(C)(C)N2CCOCC2)C=CC=CC1
InChIInChI=1S/C15H23NO2S/c1-14(2,16-9-11-18-12-10-16)13(17)15(19-3)7-5-4-6-8-15/h4-7H,8-12H2,1-3H3
InChIKeyZJMVZQXVUYILLG-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.28
Rot. Bonds4

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

2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 139785064) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID139785064
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one
SMILESCSC1(C(=O)C(C)(C)N2CCOCC2)C=CC=CC1
InChIInChI=1S/C15H23NO2S/c1-14(2,16-9-11-18-12-10-16)13(17)15(19-3)7-5-4-6-8-15/h4-7H,8-12H2,1-3H3
InChIKeyZJMVZQXVUYILLG-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-(6-Methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 21881735
2-Methyl-1-(4-methylsulfanylcyclohexa-1,3-dien-1-yl)-2-morpholin-4-ylpropan-1-one
CID 68208598
1-(6-Methyl-1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one
CID 70009885
(Z,4E)-4-ethylidene-2-methyl-7-methylsulfanyl-2-morpholin-4-yloct-5-en-3-one
CID 88905677
4-[2-Methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine
CID 139786823
1-(4,6-Dimethyl-6-morpholin-4-yl-5-sulfanylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 150458684
1-(4-Methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylpropan-1-one
CID 152646628
1-(6-Methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-2-one
CID 153977506
1-(1-Morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 156778731
2-Methyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)-2-morpholin-4-ylpropan-1-one
CID 171432218
Methyl-[4-(2-methyl-2-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-ylidene]sulfanium
CID 172690784
1-[4-methyl-6-[(1E)-4-(morpholin-4-ylmethyl)hexa-1,5-dienyl]-3,4-dihydro-2H-thiopyran-2-yl]ethanone
CID 144145146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one (CID 139785064) is 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one is CSC1(C(=O)C(C)(C)N2CCOCC2)C=CC=CC1.
What is the InChIKey of 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is ZJMVZQXVUYILLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-14(2,16-9-11-18-12-10-16)13(17)15(19-3)7-5-4-6-8-15/h4-7H,8-12H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one?
2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 281.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 139785064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).