methylsulfinylcyclopentane

C6H12OS — CID 23631127

IUPACmethylsulfinylcyclopentane
SMILESCS(=O)C1CCCC1
InChIInChI=1S/C6H12OS/c1-8(7)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyCXQKKULKIQXSBU-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.31
Rot. Bonds1

About methylsulfinylcyclopentane

methylsulfinylcyclopentane (PubChem CID 23631127) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is methylsulfinylcyclopentane.

Molecular Properties

Compound Namemethylsulfinylcyclopentane
PubChem CID23631127
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Namemethylsulfinylcyclopentane
SMILESCS(=O)C1CCCC1
InChIInChI=1S/C6H12OS/c1-8(7)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyCXQKKULKIQXSBU-UHFFFAOYSA-N
XLogP1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl propyl sulfoxide
CID 123336
Butane, 1-(methylsulfinyl)-
CID 533669
2-Methylthiolane 1-oxide
CID 550020
Methyl-amyl-sulfoxid
CID 13954230
(S-methylsulfonimidoyl)cyclopentane hydrochloride
CID 137965952
1-(Methanesulfinyl)-1-(methylsulfanyl)cyclopentane
CID 13298788
Cyclopentyl(imino)(methyl)-l6-sulfanone
CID 122420492
2,5-Dimethyl-sulfolane
CID 555247
1-[(R)-methylsulfinyl]butane
CID 9574113
2-Ethylthiolane 1-oxide
CID 13702250
Ethylsulfinylcyclopentane
CID 20828176
(2R,5R)-2,5-dimethylthiolane 1-oxide
CID 12385611

Frequently Asked Questions

What is the IUPAC name of methylsulfinylcyclopentane?
The IUPAC name of methylsulfinylcyclopentane (CID 23631127) is methylsulfinylcyclopentane.
What is the SMILES notation for methylsulfinylcyclopentane?
The canonical SMILES for methylsulfinylcyclopentane is CS(=O)C1CCCC1.
What is the InChIKey of methylsulfinylcyclopentane?
The InChIKey is CXQKKULKIQXSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-8(7)6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of methylsulfinylcyclopentane?
methylsulfinylcyclopentane has a molecular weight of 132.23 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylcyclopentane is sourced from PubChem (CID 23631127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).