1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane

C10H18OS2 — CID 12592984

IUPAC1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane
SMILESC=C1CCCCC1C(SC)S(C)=O
InChIInChI=1S/C10H18OS2/c1-8-6-4-5-7-9(8)10(12-2)13(3)11/h9-10H,1,4-7H2,2-3H3
InChIKeyDTDLEPGQEIDVGS-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.80
Rot. Bonds3

About 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane

1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane (PubChem CID 12592984) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane.

Molecular Properties

Compound Name1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane
PubChem CID12592984
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane
SMILESC=C1CCCCC1C(SC)S(C)=O
InChIInChI=1S/C10H18OS2/c1-8-6-4-5-7-9(8)10(12-2)13(3)11/h9-10H,1,4-7H2,2-3H3
InChIKeyDTDLEPGQEIDVGS-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,3R)-2-(cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
CID 10562395
1-Methylsulfinylmethyl-2-methylenecyclohexane
CID 15525559
2-(Cyclohexylmethylidene)-1,3-dithiane 1,3-dioxide
CID 85186519
(4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene
CID 89281869
2-Methyl-4-methylidene-1-methylsulfonylcyclohexane
CID 90841950
1-Methyl-4-methylidene-2-methylsulfonylcyclohexane
CID 91301955
2,2,4,5-Tetramethyl-3,4-dihydrothiopyran 1-oxide
CID 91497335
1-Methylidene-4-(methylsulfonylmethyl)cyclohexane
CID 91533223
2-Methyl-4-methylidene-1-methylsulfinylcyclohexane
CID 91598604
(2R)-2-methyl-4-prop-1-en-2-ylthiane 1-oxide
CID 118613320
(2S)-2-methyl-4-prop-1-en-2-ylthiane 1-oxide
CID 118613330
(3Z)-3-(tert-butylsulfinylmethylidene)-4-methylhexane
CID 123607209

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane?
The IUPAC name of 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane (CID 12592984) is 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane.
What is the SMILES notation for 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane?
The canonical SMILES for 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane is C=C1CCCCC1C(SC)S(C)=O.
What is the InChIKey of 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane?
The InChIKey is DTDLEPGQEIDVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-8-6-4-5-7-9(8)10(12-2)13(3)11/h9-10H,1,4-7H2,2-3H3.
What are the key properties of 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane?
1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane has a molecular weight of 218.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-[methylsulfanyl(methylsulfinyl)methyl]cyclohexane is sourced from PubChem (CID 12592984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).