2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone

C13H18O3S2 — CID 64635420

IUPAC2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)(=O)C2CCCCC2)s1
InChIInChI=1S/C13H18O3S2/c1-10-7-8-13(17-10)12(14)9-18(15,16)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyCGYAGFZFJPOHOG-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.99
Rot. Bonds4

About 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone

2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 64635420) has the molecular formula C13H18O3S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone
PubChem CID64635420
Molecular FormulaC13H18O3S2
Molecular Weight286.42 g/mol
Exact Mass286.07
IUPAC Name2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CS(=O)(=O)C2CCCCC2)s1
InChIInChI=1S/C13H18O3S2/c1-10-7-8-13(17-10)12(14)9-18(15,16)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyCGYAGFZFJPOHOG-UHFFFAOYSA-N
XLogP2.99
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
1-(5-chlorothiophen-2-yl)-2-(3-methylcyclohexyl)sulfonylethanone
CID 64635814
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 99798313
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62035131
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 102727266
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 82750333
2-(3-methoxypropylsulfonyl)-1-(5-methylthiophen-2-yl)ethanone
CID 64637339
2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone
CID 64637120
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 116582234

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone (CID 64635420) is 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CS(=O)(=O)C2CCCCC2)s1.
What is the InChIKey of 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is CGYAGFZFJPOHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S2/c1-10-7-8-13(17-10)12(14)9-18(15,16)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone?
2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 64635420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).