3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane

C12H21BrOS — CID 107746838

IUPAC3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane
SMILESCC1OCCC1SCC1(CBr)CCCC1
InChIInChI=1S/C12H21BrOS/c1-10-11(4-7-14-10)15-9-12(8-13)5-2-3-6-12/h10-11H,2-9H2,1H3
InChIKeyCUCCPPLAMDPVPV-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.85
Rot. Bonds4

About 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane

3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane (PubChem CID 107746838) has the molecular formula C12H21BrOS and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane
PubChem CID107746838
Molecular FormulaC12H21BrOS
Molecular Weight293.27 g/mol
Exact Mass292.05
IUPAC Name3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane
SMILESCC1OCCC1SCC1(CBr)CCCC1
InChIInChI=1S/C12H21BrOS/c1-10-11(4-7-14-10)15-9-12(8-13)5-2-3-6-12/h10-11H,2-9H2,1H3
InChIKeyCUCCPPLAMDPVPV-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane
CID 65000933
4-[[1-(Bromomethyl)cyclopentyl]methylsulfanyl]oxane
CID 65000940
1-(Bromomethyl)-1-(3-methoxypropylsulfanylmethyl)cyclopentane
CID 65001048
2-[[1-(Bromomethyl)cyclobutyl]methylsulfanylmethyl]oxolane
CID 106493688
2-[(5-Bromo-3-methylpentyl)sulfanylmethyl]oxolane
CID 106493690
2-[2-(Bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-[[2-(Bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]oxolane
CID 106493702
2-[[2-(Bromomethyl)-2-propylpentyl]sulfanylmethyl]oxolane
CID 106493707
2-[[1-(Bromomethyl)cyclohexyl]methylsulfanylmethyl]oxolane
CID 106493708
2-[[1-(Bromomethyl)cyclopentyl]methylsulfanylmethyl]oxolane
CID 106493713
2-[(3-Bromo-2,2-dimethylpropyl)sulfanylmethyl]oxolane
CID 106493714
2-[[2-(Bromomethyl)-2-ethylbutyl]sulfanylmethyl]oxolane
CID 106493715

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane?
The IUPAC name of 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane (CID 107746838) is 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane?
The canonical SMILES for 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane is CC1OCCC1SCC1(CBr)CCCC1.
What is the InChIKey of 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane?
The InChIKey is CUCCPPLAMDPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrOS/c1-10-11(4-7-14-10)15-9-12(8-13)5-2-3-6-12/h10-11H,2-9H2,1H3.
What are the key properties of 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane?
3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane has a molecular weight of 293.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]-2-methyloxolane is sourced from PubChem (CID 107746838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).