methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one

C13H24O3S2 — CID 157235836

IUPACmethane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one
SMILESC.C.COC(CCS(=O)c1cccs1)CC(C)=O
InChIInChI=1S/C11H16O3S2.2CH4/c1-9(12)8-10(14-2)5-7-16(13)11-4-3-6-15-11;;/h3-4,6,10H,5,7-8H2,1-2H3;2*1H4
InChIKeyAUPWDSNNCMHUMQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.51
Rot. Bonds7

About methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one

methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one (PubChem CID 157235836) has the molecular formula C13H24O3S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one.

Molecular Properties

Compound Namemethane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one
PubChem CID157235836
Molecular FormulaC13H24O3S2
Molecular Weight292.47 g/mol
Exact Mass292.12
IUPAC Namemethane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one
SMILESC.C.COC(CCS(=O)c1cccs1)CC(C)=O
InChIInChI=1S/C11H16O3S2.2CH4/c1-9(12)8-10(14-2)5-7-16(13)11-4-3-6-15-11;;/h3-4,6,10H,5,7-8H2,1-2H3;2*1H4
InChIKeyAUPWDSNNCMHUMQ-UHFFFAOYSA-N
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-(methylidene-oxo-thiophen-2-yl-λ6-sulfanyl)hexan-2-one;hydrate
CID 159535731
N-methyl-4-thiophen-2-ylsulfinylbutan-2-amine
CID 64653423
4-thiophen-2-ylheptane-2,6-dione
CID 135077736
1-methoxy-3-thiophen-2-ylsulfinylpropan-2-amine
CID 107508763
4-methyl-6-thiophen-2-ylhexan-2-one
CID 64719614
N-ethyl-5-thiophen-2-ylsulfinylpentan-2-amine
CID 64652385
1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
CID 64638878
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
CID 64640483
6-(4-ethenylphenyl)-4-methoxyhexan-2-one;methane
CID 159532583
1-thiophen-2-ylsulfinylpentan-2-amine
CID 64652798
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
3-(methylamino)-4-thiophen-2-ylsulfinylbutan-1-ol
CID 64900182

Frequently Asked Questions

What is the IUPAC name of methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one?
The IUPAC name of methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one (CID 157235836) is methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one.
What is the SMILES notation for methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one?
The canonical SMILES for methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one is C.C.COC(CCS(=O)c1cccs1)CC(C)=O.
What is the InChIKey of methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one?
The InChIKey is AUPWDSNNCMHUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S2.2CH4/c1-9(12)8-10(14-2)5-7-16(13)11-4-3-6-15-11;;/h3-4,6,10H,5,7-8H2,1-2H3;2*1H4.
What are the key properties of methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one?
methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one has a molecular weight of 292.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one is sourced from PubChem (CID 157235836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).