4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one

C14H20O2S2 — CID 64641156

IUPAC4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCS(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C14H20O2S2/c15-13(14-9-4-10-17-14)8-5-11-18(16)12-6-2-1-3-7-12/h4,9-10,12H,1-3,5-8,11H2
InChIKeyCECNTMIFNVMWJE-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.79
Rot. Bonds6

About 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one

4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one (PubChem CID 64641156) has the molecular formula C14H20O2S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one
PubChem CID64641156
Molecular FormulaC14H20O2S2
Molecular Weight284.45 g/mol
Exact Mass284.09
IUPAC Name4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCS(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C14H20O2S2/c15-13(14-9-4-10-17-14)8-5-11-18(16)12-6-2-1-3-7-12/h4,9-10,12H,1-3,5-8,11H2
InChIKeyCECNTMIFNVMWJE-UHFFFAOYSA-N
XLogP3.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
CID 64638878
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one
CID 64638484
4-(oxan-4-yloxy)-1-thiophen-2-ylbutan-1-one
CID 61288204
6,6-dimethyl-1-thiophen-2-ylheptane-1,5-dione
CID 15128597
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
CID 2341406
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62030910
1-thiophen-2-yl-4-(trifluoromethylsulfanyl)butan-1-one
CID 138977025
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one (CID 64641156) is 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one is O=C(CCCS(=O)C1CCCCC1)c1cccs1.
What is the InChIKey of 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one?
The InChIKey is CECNTMIFNVMWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S2/c15-13(14-9-4-10-17-14)8-5-11-18(16)12-6-2-1-3-7-12/h4,9-10,12H,1-3,5-8,11H2.
What are the key properties of 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one?
4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one has a molecular weight of 284.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 64641156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).