1-methylsulfanyl-1-methylsulfonylcyclopentane

C7H14O2S2 — CID 12759860

IUPAC1-methylsulfanyl-1-methylsulfonylcyclopentane
SMILESCSC1(S(C)(=O)=O)CCCC1
InChIInChI=1S/C7H14O2S2/c1-10-7(11(2,8)9)5-3-4-6-7/h3-6H2,1-2H3
InChIKeyYECMFPCBMWIXQO-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.66
Rot. Bonds2

About 1-methylsulfanyl-1-methylsulfonylcyclopentane

1-methylsulfanyl-1-methylsulfonylcyclopentane (PubChem CID 12759860) has the molecular formula C7H14O2S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-methylsulfanyl-1-methylsulfonylcyclopentane.

Molecular Properties

Compound Name1-methylsulfanyl-1-methylsulfonylcyclopentane
PubChem CID12759860
Molecular FormulaC7H14O2S2
Molecular Weight194.32 g/mol
Exact Mass194.04
IUPAC Name1-methylsulfanyl-1-methylsulfonylcyclopentane
SMILESCSC1(S(C)(=O)=O)CCCC1
InChIInChI=1S/C7H14O2S2/c1-10-7(11(2,8)9)5-3-4-6-7/h3-6H2,1-2H3
InChIKeyYECMFPCBMWIXQO-UHFFFAOYSA-N
XLogP1.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methanesulfinyl)-1-(methylsulfanyl)cyclopentane
CID 13298788
Methylsulfonylcyclopentane
CID 14022406
3-Methanesulfonylcyclopentane-1-thiol
CID 54343305
1,1-Bis(methylsulfonyl)propane
CID 59645129
Ethylsulfonylcyclopentane
CID 66796207
1-(Methylsulfanylmethylsulfonyl)pentane
CID 88249667
Pentylsulfonylmethanethiol
CID 88440226
1lambda6,3lambda6-Dithiaspiro[3.4]octane 1,1,3,3-tetraoxide
CID 89405423
2-Methylsulfanyl-2-methylsulfonylbutane
CID 90735521
2-Methyl-5-methylsulfonylthiolane
CID 124175166
1-[(Methyldisulfanyl)methylsulfonyl]butane
CID 150460895
1,1,1-Tris(methylsulfonyl)propane
CID 154019152

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-methylsulfonylcyclopentane?
The IUPAC name of 1-methylsulfanyl-1-methylsulfonylcyclopentane (CID 12759860) is 1-methylsulfanyl-1-methylsulfonylcyclopentane.
What is the SMILES notation for 1-methylsulfanyl-1-methylsulfonylcyclopentane?
The canonical SMILES for 1-methylsulfanyl-1-methylsulfonylcyclopentane is CSC1(S(C)(=O)=O)CCCC1.
What is the InChIKey of 1-methylsulfanyl-1-methylsulfonylcyclopentane?
The InChIKey is YECMFPCBMWIXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S2/c1-10-7(11(2,8)9)5-3-4-6-7/h3-6H2,1-2H3.
What are the key properties of 1-methylsulfanyl-1-methylsulfonylcyclopentane?
1-methylsulfanyl-1-methylsulfonylcyclopentane has a molecular weight of 194.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-methylsulfonylcyclopentane is sourced from PubChem (CID 12759860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).