heptylsulfonylcyclooctane

C15H30O2S — CID 134525047

IUPACheptylsulfonylcyclooctane
SMILESCCCCCCCS(=O)(=O)C1CCCCCCC1
InChIInChI=1S/C15H30O2S/c1-2-3-4-8-11-14-18(16,17)15-12-9-6-5-7-10-13-15/h15H,2-14H2,1H3
InChIKeySDXIIGASJGMIEL-UHFFFAOYSA-N
MW274.47 g/mol
LogP4.48
Rot. Bonds7

About heptylsulfonylcyclooctane

heptylsulfonylcyclooctane (PubChem CID 134525047) has the molecular formula C15H30O2S and a molecular weight of 274.47 g/mol. Its IUPAC name is heptylsulfonylcyclooctane.

Molecular Properties

Compound Nameheptylsulfonylcyclooctane
PubChem CID134525047
Molecular FormulaC15H30O2S
Molecular Weight274.47 g/mol
Exact Mass274.20
IUPAC Nameheptylsulfonylcyclooctane
SMILESCCCCCCCS(=O)(=O)C1CCCCCCC1
InChIInChI=1S/C15H30O2S/c1-2-3-4-8-11-14-18(16,17)15-12-9-6-5-7-10-13-15/h15H,2-14H2,1H3
InChIKeySDXIIGASJGMIEL-UHFFFAOYSA-N
XLogP4.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undecylsulfonylcyclohexane
CID 151596280
pentylsulfonylcyclopropane
CID 165043967
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
4-bromobutylsulfonylcyclohexane
CID 60872498
N-(2-cyclopentylsulfonylethyl)butan-1-amine
CID 106512849
5-cyclohexylsulfonylpentanoic acid
CID 60872104
diazoniosulfonylcyclohexane;1-methylsulfonyldecane
CID 161477553
6-cyclopentylsulfonylhexan-3-one
CID 106808577
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
CID 106512843
2-pentylsulfonylcyclohexan-1-one
CID 107764455
(2-pentylsulfonylcyclohexyl)methanamine
CID 107766733
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012

Frequently Asked Questions

What is the IUPAC name of heptylsulfonylcyclooctane?
The IUPAC name of heptylsulfonylcyclooctane (CID 134525047) is heptylsulfonylcyclooctane.
What is the SMILES notation for heptylsulfonylcyclooctane?
The canonical SMILES for heptylsulfonylcyclooctane is CCCCCCCS(=O)(=O)C1CCCCCCC1.
What is the InChIKey of heptylsulfonylcyclooctane?
The InChIKey is SDXIIGASJGMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2S/c1-2-3-4-8-11-14-18(16,17)15-12-9-6-5-7-10-13-15/h15H,2-14H2,1H3.
What are the key properties of heptylsulfonylcyclooctane?
heptylsulfonylcyclooctane has a molecular weight of 274.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptylsulfonylcyclooctane is sourced from PubChem (CID 134525047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).