1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane

C11H21BrO2S — CID 65001157

IUPAC1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane
SMILESCCCCS(=O)(=O)CC1(CBr)CCCC1
InChIInChI=1S/C11H21BrO2S/c1-2-3-8-15(13,14)10-11(9-12)6-4-5-7-11/h2-10H2,1H3
InChIKeyUWQRTMKYLJAQMD-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.16
Rot. Bonds6

About 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane

1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane (PubChem CID 65001157) has the molecular formula C11H21BrO2S and a molecular weight of 297.26 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane
PubChem CID65001157
Molecular FormulaC11H21BrO2S
Molecular Weight297.26 g/mol
Exact Mass296.04
IUPAC Name1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane
SMILESCCCCS(=O)(=O)CC1(CBr)CCCC1
InChIInChI=1S/C11H21BrO2S/c1-2-3-8-15(13,14)10-11(9-12)6-4-5-7-11/h2-10H2,1H3
InChIKeyUWQRTMKYLJAQMD-UHFFFAOYSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.16
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-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane
CID 65008377
2-[1-(butylsulfonylmethyl)cyclopropyl]ethanamine
CID 65492431
2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443307
4-(bromomethyl)-4-(ethylsulfonylmethyl)oxane
CID 65004666
3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
1-butylsulfonylbutane;thiolane 1,1-dioxide
CID 170346505
1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane
CID 65001521
1,1-bis(bromomethyl)cyclopentane
CID 12651156
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane
CID 65006593
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
calcium;1-butylsulfonylbutane;dichloride
CID 174621632

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane (CID 65001157) is 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane is CCCCS(=O)(=O)CC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane?
The InChIKey is UWQRTMKYLJAQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2S/c1-2-3-8-15(13,14)10-11(9-12)6-4-5-7-11/h2-10H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane?
1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane has a molecular weight of 297.26 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane is sourced from PubChem (CID 65001157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).