7-methylsulfonylheptylsulfonylcyclohexane

C14H28O4S2 — CID 166839040

IUPAC7-methylsulfonylheptylsulfonylcyclohexane
SMILESCS(=O)(=O)CCCCCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H28O4S2/c1-19(15,16)12-8-3-2-4-9-13-20(17,18)14-10-6-5-7-11-14/h14H,2-13H2,1H3
InChIKeyUMDLZLDPMAVHQL-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.73
Rot. Bonds9

About 7-methylsulfonylheptylsulfonylcyclohexane

7-methylsulfonylheptylsulfonylcyclohexane (PubChem CID 166839040) has the molecular formula C14H28O4S2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 7-methylsulfonylheptylsulfonylcyclohexane.

Molecular Properties

Compound Name7-methylsulfonylheptylsulfonylcyclohexane
PubChem CID166839040
Molecular FormulaC14H28O4S2
Molecular Weight324.51 g/mol
Exact Mass324.14
IUPAC Name7-methylsulfonylheptylsulfonylcyclohexane
SMILESCS(=O)(=O)CCCCCCCS(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H28O4S2/c1-19(15,16)12-8-3-2-4-9-13-20(17,18)14-10-6-5-7-11-14/h14H,2-13H2,1H3
InChIKeyUMDLZLDPMAVHQL-UHFFFAOYSA-N
XLogP2.73
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptylsulfonylcyclooctane
CID 134525047
undecylsulfonylcyclohexane
CID 151596280
4-bromobutylsulfonylcyclohexane
CID 60872498
5-cyclohexylsulfonylpentanoic acid
CID 60872104
diazoniosulfonylcyclohexane;1-methylsulfonyldecane
CID 161477553
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
CID 106512843
pentylsulfonylcyclopropane
CID 165043967
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012
6-cyclopentylsulfonylhexan-3-one
CID 106808577
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192
2-cyclopentylsulfonyl-N-methylethanamine
CID 64673517
2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine
CID 79581966

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonylheptylsulfonylcyclohexane?
The IUPAC name of 7-methylsulfonylheptylsulfonylcyclohexane (CID 166839040) is 7-methylsulfonylheptylsulfonylcyclohexane.
What is the SMILES notation for 7-methylsulfonylheptylsulfonylcyclohexane?
The canonical SMILES for 7-methylsulfonylheptylsulfonylcyclohexane is CS(=O)(=O)CCCCCCCS(=O)(=O)C1CCCCC1.
What is the InChIKey of 7-methylsulfonylheptylsulfonylcyclohexane?
The InChIKey is UMDLZLDPMAVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4S2/c1-19(15,16)12-8-3-2-4-9-13-20(17,18)14-10-6-5-7-11-14/h14H,2-13H2,1H3.
What are the key properties of 7-methylsulfonylheptylsulfonylcyclohexane?
7-methylsulfonylheptylsulfonylcyclohexane has a molecular weight of 324.51 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonylheptylsulfonylcyclohexane is sourced from PubChem (CID 166839040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).