1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane

C12H24O2S2 — CID 164704562

IUPAC1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane
SMILESCCCCS(=O)CS(=O)C1CCCCC1C
InChIInChI=1S/C12H24O2S2/c1-3-4-9-15(13)10-16(14)12-8-6-5-7-11(12)2/h11-12H,3-10H2,1-2H3
InChIKeyMTAQMJSOWYAZLA-UHFFFAOYSA-N
MW264.46 g/mol
LogP2.82
Rot. Bonds6

About 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane

1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane (PubChem CID 164704562) has the molecular formula C12H24O2S2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane.

Molecular Properties

Compound Name1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane
PubChem CID164704562
Molecular FormulaC12H24O2S2
Molecular Weight264.46 g/mol
Exact Mass264.12
IUPAC Name1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane
SMILESCCCCS(=O)CS(=O)C1CCCCC1C
InChIInChI=1S/C12H24O2S2/c1-3-4-9-15(13)10-16(14)12-8-6-5-7-11(12)2/h11-12H,3-10H2,1-2H3
InChIKeyMTAQMJSOWYAZLA-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-propylsulfinylcyclohexane
CID 21427687
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
2-pentylsulfinyl-N-propylcyclooctan-1-amine
CID 107759026
2-butylsulfinylcyclopentane-1-carbonitrile
CID 64692329
N-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64651955
1-propylsulfinylbutane
CID 564183
(2-pentylsulfinylcycloheptyl)methanamine
CID 107766855
3-methyl-2-(3-methylheptan-3-yl)cycloheptane-1-sulfinate
CID 155032158
2-butylsulfinyl-1-cyclopropyl-N-methylethanamine
CID 64653724
cis-(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexan-1-ol
CID 11148041
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
[(1S,2S)-2-[(S)-dodecylsulfinyl]cyclohexyl] acetate
CID 40732297

Frequently Asked Questions

What is the IUPAC name of 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane?
The IUPAC name of 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane (CID 164704562) is 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane.
What is the SMILES notation for 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane?
The canonical SMILES for 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane is CCCCS(=O)CS(=O)C1CCCCC1C.
What is the InChIKey of 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane?
The InChIKey is MTAQMJSOWYAZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S2/c1-3-4-9-15(13)10-16(14)12-8-6-5-7-11(12)2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane?
1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane has a molecular weight of 264.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylsulfinylmethylsulfinyl)-2-methylcyclohexane is sourced from PubChem (CID 164704562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).