5,5-dimethylhexan-2-ylsulfonylcyclohexane

C14H28O2S — CID 158552545

IUPAC5,5-dimethylhexan-2-ylsulfonylcyclohexane
SMILESCC(CCC(C)(C)C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H28O2S/c1-12(10-11-14(2,3)4)17(15,16)13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyCSTPTSNHENKUPW-UHFFFAOYSA-N
MW260.44 g/mol
LogP3.95
Rot. Bonds4

About 5,5-dimethylhexan-2-ylsulfonylcyclohexane

5,5-dimethylhexan-2-ylsulfonylcyclohexane (PubChem CID 158552545) has the molecular formula C14H28O2S and a molecular weight of 260.44 g/mol. Its IUPAC name is 5,5-dimethylhexan-2-ylsulfonylcyclohexane.

Molecular Properties

Compound Name5,5-dimethylhexan-2-ylsulfonylcyclohexane
PubChem CID158552545
Molecular FormulaC14H28O2S
Molecular Weight260.44 g/mol
Exact Mass260.18
IUPAC Name5,5-dimethylhexan-2-ylsulfonylcyclohexane
SMILESCC(CCC(C)(C)C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H28O2S/c1-12(10-11-14(2,3)4)17(15,16)13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyCSTPTSNHENKUPW-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexylsulfonylbutan-1-amine
CID 64698665
2-cyclopentylsulfonyl-N-methylpropan-1-amine
CID 106512846
4-cyclohexylsulfonyl-N-methylpentan-2-amine
CID 64704594
2-cyclohexylsulfonyl-N-propylpropan-1-amine
CID 106512987
1-cyclopentyl-5,5-dimethylhexan-2-amine
CID 115850049
2-cyclohexylsulfonyl-N-prop-2-enylpropan-1-amine
CID 106513032
2-cyclopentylsulfonyl-N-propylpropan-1-amine
CID 106512803
4-cyclohexylbutane-2-sulfonic acid
CID 88555201
3-butan-2-ylsulfonylazepane
CID 106512763
ethyl 3-cyclopentylsulfonylbutanoate
CID 63114568
2,2-dimethylpropylsulfonylcyclobutane
CID 167544021
2-cycloheptylsulfonylpropanoic acid
CID 82925993

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhexan-2-ylsulfonylcyclohexane?
The IUPAC name of 5,5-dimethylhexan-2-ylsulfonylcyclohexane (CID 158552545) is 5,5-dimethylhexan-2-ylsulfonylcyclohexane.
What is the SMILES notation for 5,5-dimethylhexan-2-ylsulfonylcyclohexane?
The canonical SMILES for 5,5-dimethylhexan-2-ylsulfonylcyclohexane is CC(CCC(C)(C)C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 5,5-dimethylhexan-2-ylsulfonylcyclohexane?
The InChIKey is CSTPTSNHENKUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2S/c1-12(10-11-14(2,3)4)17(15,16)13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3.
What are the key properties of 5,5-dimethylhexan-2-ylsulfonylcyclohexane?
5,5-dimethylhexan-2-ylsulfonylcyclohexane has a molecular weight of 260.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhexan-2-ylsulfonylcyclohexane is sourced from PubChem (CID 158552545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).