(1-bromo-4-propylsulfonylbutyl)cyclopentane

C12H23BrO2S — CID 106729203

IUPAC(1-bromo-4-propylsulfonylbutyl)cyclopentane
SMILESCCCS(=O)(=O)CCCC(Br)C1CCCC1
InChIInChI=1S/C12H23BrO2S/c1-2-9-16(14,15)10-5-8-12(13)11-6-3-4-7-11/h11-12H,2-10H2,1H3
InChIKeyREHBSJRJBDAPCO-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.55
Rot. Bonds7

About (1-bromo-4-propylsulfonylbutyl)cyclopentane

(1-bromo-4-propylsulfonylbutyl)cyclopentane (PubChem CID 106729203) has the molecular formula C12H23BrO2S and a molecular weight of 311.29 g/mol. Its IUPAC name is (1-bromo-4-propylsulfonylbutyl)cyclopentane.

Molecular Properties

Compound Name(1-bromo-4-propylsulfonylbutyl)cyclopentane
PubChem CID106729203
Molecular FormulaC12H23BrO2S
Molecular Weight311.29 g/mol
Exact Mass310.06
IUPAC Name(1-bromo-4-propylsulfonylbutyl)cyclopentane
SMILESCCCS(=O)(=O)CCCC(Br)C1CCCC1
InChIInChI=1S/C12H23BrO2S/c1-2-9-16(14,15)10-5-8-12(13)11-6-3-4-7-11/h11-12H,2-10H2,1H3
InChIKeyREHBSJRJBDAPCO-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-4-propylsulfonylbutan-1-ol
CID 106729033
4-bromo-5-methyl-1-propylsulfonylhexane
CID 106729131
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
1-bromotetradecylcyclopropane
CID 55193412
5-bromo-1-propylsulfonylheptane
CID 106732536
1-bromopropylcyclopentane
CID 79303747
(1-bromo-5-tert-butylsulfonylpentyl)cyclopropane
CID 106732544
1-propylsulfonylpropane
CID 11709
1,3-dibromopropylcyclopentane
CID 119055057
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
propylsulfonylmethylcyclopropane
CID 20644601

Frequently Asked Questions

What is the IUPAC name of (1-bromo-4-propylsulfonylbutyl)cyclopentane?
The IUPAC name of (1-bromo-4-propylsulfonylbutyl)cyclopentane (CID 106729203) is (1-bromo-4-propylsulfonylbutyl)cyclopentane.
What is the SMILES notation for (1-bromo-4-propylsulfonylbutyl)cyclopentane?
The canonical SMILES for (1-bromo-4-propylsulfonylbutyl)cyclopentane is CCCS(=O)(=O)CCCC(Br)C1CCCC1.
What is the InChIKey of (1-bromo-4-propylsulfonylbutyl)cyclopentane?
The InChIKey is REHBSJRJBDAPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO2S/c1-2-9-16(14,15)10-5-8-12(13)11-6-3-4-7-11/h11-12H,2-10H2,1H3.
What are the key properties of (1-bromo-4-propylsulfonylbutyl)cyclopentane?
(1-bromo-4-propylsulfonylbutyl)cyclopentane has a molecular weight of 311.29 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-4-propylsulfonylbutyl)cyclopentane is sourced from PubChem (CID 106729203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).