(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane

C16H30O2S — CID 158866728

IUPAC(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane
SMILESCS(=O)(=O)C(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C16H30O2S/c1-19(17,18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h14-16H,2-13H2,1H3
InChIKeyXHZYEIAGTFCVKF-UHFFFAOYSA-N
MW286.48 g/mol
LogP4.34
Rot. Bonds5

About (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane

(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane (PubChem CID 158866728) has the molecular formula C16H30O2S and a molecular weight of 286.48 g/mol. Its IUPAC name is (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane.

Molecular Properties

Compound Name(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane
PubChem CID158866728
Molecular FormulaC16H30O2S
Molecular Weight286.48 g/mol
Exact Mass286.20
IUPAC Name(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane
SMILESCS(=O)(=O)C(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C16H30O2S/c1-19(17,18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h14-16H,2-13H2,1H3
InChIKeyXHZYEIAGTFCVKF-UHFFFAOYSA-N
XLogP4.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methylbutane-2-sulfonamide
CID 165445824
(2-chloro-2-methylsulfonylethyl)cyclobutane
CID 105450400
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
1-cyclobutyl-N-methyl-3-methylsulfonylbutan-2-amine
CID 115863751
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane
CID 87174631
2-cyclopentyl-2-methylsulfonylacetaldehyde
CID 102568308
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
2,3-dimethylbutylcyclodecane
CID 123220792
1-cyclopentyl-5-methylsulfonylpentan-2-amine
CID 115820782

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane?
The IUPAC name of (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane (CID 158866728) is (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane.
What is the SMILES notation for (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane?
The canonical SMILES for (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane is CS(=O)(=O)C(CC1CCCCC1)CC1CCCCC1.
What is the InChIKey of (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane?
The InChIKey is XHZYEIAGTFCVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2S/c1-19(17,18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h14-16H,2-13H2,1H3.
What are the key properties of (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane?
(3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane has a molecular weight of 286.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-2-methylsulfonylpropyl)cyclohexane is sourced from PubChem (CID 158866728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).