pentylsulfonylcyclopropane

C8H16O2S — CID 165043967

IUPACpentylsulfonylcyclopropane
SMILESCCCCCS(=O)(=O)C1CC1
InChIInChI=1S/C8H16O2S/c1-2-3-4-7-11(9,10)8-5-6-8/h8H,2-7H2,1H3
InChIKeyOOXZCSXJCHWMCR-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.75
Rot. Bonds5

About pentylsulfonylcyclopropane

pentylsulfonylcyclopropane (PubChem CID 165043967) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is pentylsulfonylcyclopropane.

Molecular Properties

Compound Namepentylsulfonylcyclopropane
PubChem CID165043967
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Namepentylsulfonylcyclopropane
SMILESCCCCCS(=O)(=O)C1CC1
InChIInChI=1S/C8H16O2S/c1-2-3-4-7-11(9,10)8-5-6-8/h8H,2-7H2,1H3
InChIKeyOOXZCSXJCHWMCR-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.75
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

heptylsulfonylcyclooctane
CID 134525047
undecylsulfonylcyclohexane
CID 151596280
ethylsulfonylcyclopropane
CID 12063392
2-pentylsulfonylcyclohexan-1-one
CID 107764455
N-(2-cyclopentylsulfonylethyl)butan-1-amine
CID 106512849
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
(2-pentylsulfonylcyclohexyl)methanamine
CID 107766733
N-methyl-3-pentylsulfonyloxan-4-amine
CID 107758700
gold;pentane-1-sulfonic acid
CID 174800543
decane-1-sulfonic acid
CID 157391186
CID 89207862
CID 89207862
4-bromobutylsulfonylcyclohexane
CID 60872498

Frequently Asked Questions

What is the IUPAC name of pentylsulfonylcyclopropane?
The IUPAC name of pentylsulfonylcyclopropane (CID 165043967) is pentylsulfonylcyclopropane.
What is the SMILES notation for pentylsulfonylcyclopropane?
The canonical SMILES for pentylsulfonylcyclopropane is CCCCCS(=O)(=O)C1CC1.
What is the InChIKey of pentylsulfonylcyclopropane?
The InChIKey is OOXZCSXJCHWMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-2-3-4-7-11(9,10)8-5-6-8/h8H,2-7H2,1H3.
What are the key properties of pentylsulfonylcyclopropane?
pentylsulfonylcyclopropane has a molecular weight of 176.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentylsulfonylcyclopropane is sourced from PubChem (CID 165043967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).