3-(2-methylsulfonylethylsulfinyl)propylcyclopentane

C11H22O3S2 — CID 75382392

IUPAC3-(2-methylsulfonylethylsulfinyl)propylcyclopentane
SMILESCS(=O)(=O)CCS(=O)CCCC1CCCC1
InChIInChI=1S/C11H22O3S2/c1-16(13,14)10-9-15(12)8-4-7-11-5-2-3-6-11/h11H,2-10H2,1H3
InChIKeyFIZZLMNDCAHCIJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.75
Rot. Bonds7

About 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane

3-(2-methylsulfonylethylsulfinyl)propylcyclopentane (PubChem CID 75382392) has the molecular formula C11H22O3S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane.

Molecular Properties

Compound Name3-(2-methylsulfonylethylsulfinyl)propylcyclopentane
PubChem CID75382392
Molecular FormulaC11H22O3S2
Molecular Weight266.43 g/mol
Exact Mass266.10
IUPAC Name3-(2-methylsulfonylethylsulfinyl)propylcyclopentane
SMILESCS(=O)(=O)CCS(=O)CCCC1CCCC1
InChIInChI=1S/C11H22O3S2/c1-16(13,14)10-9-15(12)8-4-7-11-5-2-3-6-11/h11H,2-10H2,1H3
InChIKeyFIZZLMNDCAHCIJ-UHFFFAOYSA-N
XLogP1.75
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-6-methylsulfonylhexan-3-one
CID 114965014
N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine
CID 64674130
1-cyclohexyl-5-methylsulfonylpentan-3-amine
CID 115848165
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
1-chloro-3-(2-methylsulfonylethyl)cycloheptane
CID 64507071
4-cyclohexylbutane-1-sulfinate
CID 57254426
2-(3-methylsulfonylpropyl)cycloheptan-1-ol
CID 63196152
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
10-cyclohexyldecane-1-sulfonic acid
CID 150281509
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782
1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine
CID 75507205

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane?
The IUPAC name of 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane (CID 75382392) is 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane.
What is the SMILES notation for 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane?
The canonical SMILES for 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane is CS(=O)(=O)CCS(=O)CCCC1CCCC1.
What is the InChIKey of 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane?
The InChIKey is FIZZLMNDCAHCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S2/c1-16(13,14)10-9-15(12)8-4-7-11-5-2-3-6-11/h11H,2-10H2,1H3.
What are the key properties of 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane?
3-(2-methylsulfonylethylsulfinyl)propylcyclopentane has a molecular weight of 266.43 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethylsulfinyl)propylcyclopentane is sourced from PubChem (CID 75382392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).