1-bromo-3-(2-propylsulfonylethyl)cyclopentane

C10H19BrO2S — CID 106732521

IUPAC1-bromo-3-(2-propylsulfonylethyl)cyclopentane
SMILESCCCS(=O)(=O)CCC1CCC(Br)C1
InChIInChI=1S/C10H19BrO2S/c1-2-6-14(12,13)7-5-9-3-4-10(11)8-9/h9-10H,2-8H2,1H3
InChIKeyQMVAWQQWRSIWHS-UHFFFAOYSA-N
MW283.23 g/mol
LogP2.76
Rot. Bonds5

About 1-bromo-3-(2-propylsulfonylethyl)cyclopentane

1-bromo-3-(2-propylsulfonylethyl)cyclopentane (PubChem CID 106732521) has the molecular formula C10H19BrO2S and a molecular weight of 283.23 g/mol. Its IUPAC name is 1-bromo-3-(2-propylsulfonylethyl)cyclopentane.

Molecular Properties

Compound Name1-bromo-3-(2-propylsulfonylethyl)cyclopentane
PubChem CID106732521
Molecular FormulaC10H19BrO2S
Molecular Weight283.23 g/mol
Exact Mass282.03
IUPAC Name1-bromo-3-(2-propylsulfonylethyl)cyclopentane
SMILESCCCS(=O)(=O)CCC1CCC(Br)C1
InChIInChI=1S/C10H19BrO2S/c1-2-6-14(12,13)7-5-9-3-4-10(11)8-9/h9-10H,2-8H2,1H3
InChIKeyQMVAWQQWRSIWHS-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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-bromo-3-butylcyclopentane
CID 64508261
1-chloro-3-(2-propylsulfonylethyl)cyclohexane
CID 106732493
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
1-bromo-3-heptylcyclopentane
CID 64509382
propylsulfonylmethylcyclopropane
CID 20644601
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
1-propylsulfonylpropane
CID 11709
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106735608
3-bromo-1-(2-propylsulfonylethyl)pyrrolidine
CID 106731132

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-propylsulfonylethyl)cyclopentane?
The IUPAC name of 1-bromo-3-(2-propylsulfonylethyl)cyclopentane (CID 106732521) is 1-bromo-3-(2-propylsulfonylethyl)cyclopentane.
What is the SMILES notation for 1-bromo-3-(2-propylsulfonylethyl)cyclopentane?
The canonical SMILES for 1-bromo-3-(2-propylsulfonylethyl)cyclopentane is CCCS(=O)(=O)CCC1CCC(Br)C1.
What is the InChIKey of 1-bromo-3-(2-propylsulfonylethyl)cyclopentane?
The InChIKey is QMVAWQQWRSIWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2S/c1-2-6-14(12,13)7-5-9-3-4-10(11)8-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-bromo-3-(2-propylsulfonylethyl)cyclopentane?
1-bromo-3-(2-propylsulfonylethyl)cyclopentane has a molecular weight of 283.23 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-propylsulfonylethyl)cyclopentane is sourced from PubChem (CID 106732521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).