1-methylsulfanyl-1-methylsulfinylcyclopentane

C7H14OS2 — CID 13298788

IUPAC1-methylsulfanyl-1-methylsulfinylcyclopentane
SMILESCSC1(S(C)=O)CCCC1
InChIInChI=1S/C7H14OS2/c1-9-7(10(2)8)5-3-4-6-7/h3-6H2,1-2H3
InChIKeyNECXKUBRXVPWME-UHFFFAOYSA-N
MW178.32 g/mol
LogP2.00
Rot. Bonds2

About 1-methylsulfanyl-1-methylsulfinylcyclopentane

1-methylsulfanyl-1-methylsulfinylcyclopentane (PubChem CID 13298788) has the molecular formula C7H14OS2 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-methylsulfanyl-1-methylsulfinylcyclopentane.

Molecular Properties

Compound Name1-methylsulfanyl-1-methylsulfinylcyclopentane
PubChem CID13298788
Molecular FormulaC7H14OS2
Molecular Weight178.32 g/mol
Exact Mass178.05
IUPAC Name1-methylsulfanyl-1-methylsulfinylcyclopentane
SMILESCSC1(S(C)=O)CCCC1
InChIInChI=1S/C7H14OS2/c1-9-7(10(2)8)5-3-4-6-7/h3-6H2,1-2H3
InChIKeyNECXKUBRXVPWME-UHFFFAOYSA-N
XLogP2.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopentyl methyl sulfoxide
CID 23631127
1-Methylsulfanyl-1-methylsulfinylpentane
CID 12418427
Ethylsulfinylcyclopentane
CID 20828176
1-Methylsulfanyl-1-methylsulfonylcyclopentane
CID 12759860
4-Methyl-1,3-dithiolane 1-oxide
CID 123585357
2-Methyl-2-methylsulfanylthiolane 1-oxide
CID 21588910
2-Ethylsulfanyl-2-methylthiolane 1-oxide
CID 21588911
CID 10037631
CID 10037631
(R)-(Methylsulfinyl)cyclopentane
CID 11105404
CID 71762679
CID 71762679
CID 134898999
CID 134898999

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-methylsulfinylcyclopentane?
The IUPAC name of 1-methylsulfanyl-1-methylsulfinylcyclopentane (CID 13298788) is 1-methylsulfanyl-1-methylsulfinylcyclopentane.
What is the SMILES notation for 1-methylsulfanyl-1-methylsulfinylcyclopentane?
The canonical SMILES for 1-methylsulfanyl-1-methylsulfinylcyclopentane is CSC1(S(C)=O)CCCC1.
What is the InChIKey of 1-methylsulfanyl-1-methylsulfinylcyclopentane?
The InChIKey is NECXKUBRXVPWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS2/c1-9-7(10(2)8)5-3-4-6-7/h3-6H2,1-2H3.
What are the key properties of 1-methylsulfanyl-1-methylsulfinylcyclopentane?
1-methylsulfanyl-1-methylsulfinylcyclopentane has a molecular weight of 178.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-methylsulfinylcyclopentane is sourced from PubChem (CID 13298788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).