4-bromobutylsulfonylcyclohexane

C10H19BrO2S — CID 60872498

IUPAC4-bromobutylsulfonylcyclohexane
SMILESO=S(=O)(CCCCBr)C1CCCCC1
InChIInChI=1S/C10H19BrO2S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h10H,1-9H2
InChIKeyTUFMCVINZBJBEG-UHFFFAOYSA-N
MW283.23 g/mol
LogP2.91
Rot. Bonds5

About 4-bromobutylsulfonylcyclohexane

4-bromobutylsulfonylcyclohexane (PubChem CID 60872498) has the molecular formula C10H19BrO2S and a molecular weight of 283.23 g/mol. Its IUPAC name is 4-bromobutylsulfonylcyclohexane.

Molecular Properties

Compound Name4-bromobutylsulfonylcyclohexane
PubChem CID60872498
Molecular FormulaC10H19BrO2S
Molecular Weight283.23 g/mol
Exact Mass282.03
IUPAC Name4-bromobutylsulfonylcyclohexane
SMILESO=S(=O)(CCCCBr)C1CCCCC1
InChIInChI=1S/C10H19BrO2S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h10H,1-9H2
InChIKeyTUFMCVINZBJBEG-UHFFFAOYSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptylsulfonylcyclooctane
CID 134525047
7-methylsulfonylheptylsulfonylcyclohexane
CID 166839040
undecylsulfonylcyclohexane
CID 151596280
5-cyclohexylsulfonylpentanoic acid
CID 60872104
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012
N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
CID 106512843
pentylsulfonylcyclopropane
CID 165043967
2-(2-cyclohexylsulfonylethyl)cyclopentan-1-amine
CID 79581966
6-cyclopentylsulfonylhexan-3-one
CID 106808577
cyclohexylsulfonylmethanethiol
CID 117036891
N-(2-cyclohexylsulfonylethyl)propan-2-amine
CID 64676192

Frequently Asked Questions

What is the IUPAC name of 4-bromobutylsulfonylcyclohexane?
The IUPAC name of 4-bromobutylsulfonylcyclohexane (CID 60872498) is 4-bromobutylsulfonylcyclohexane.
What is the SMILES notation for 4-bromobutylsulfonylcyclohexane?
The canonical SMILES for 4-bromobutylsulfonylcyclohexane is O=S(=O)(CCCCBr)C1CCCCC1.
What is the InChIKey of 4-bromobutylsulfonylcyclohexane?
The InChIKey is TUFMCVINZBJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h10H,1-9H2.
What are the key properties of 4-bromobutylsulfonylcyclohexane?
4-bromobutylsulfonylcyclohexane has a molecular weight of 283.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutylsulfonylcyclohexane is sourced from PubChem (CID 60872498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).