(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane

C11H21BrS — CID 65000271

IUPAC(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane
SMILESCC(C)(CBr)CSCC1CCCC1
InChIInChI=1S/C11H21BrS/c1-11(2,8-12)9-13-7-10-5-3-4-6-10/h10H,3-9H2,1-2H3
InChIKeyVJOIZDAFHDNRNR-UHFFFAOYSA-N
MW265.26 g/mol
LogP4.33
Rot. Bonds5

About (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane

(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane (PubChem CID 65000271) has the molecular formula C11H21BrS and a molecular weight of 265.26 g/mol. Its IUPAC name is (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane.

Molecular Properties

Compound Name(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane
PubChem CID65000271
Molecular FormulaC11H21BrS
Molecular Weight265.26 g/mol
Exact Mass264.05
IUPAC Name(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane
SMILESCC(C)(CBr)CSCC1CCCC1
InChIInChI=1S/C11H21BrS/c1-11(2,8-12)9-13-7-10-5-3-4-6-10/h10H,3-9H2,1-2H3
InChIKeyVJOIZDAFHDNRNR-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpropanenitrile
CID 63120172
4-bromobutylsulfanylmethylcyclopentane
CID 63118833
(3-bromo-2-cyclopropyl-2-methylpropyl)cyclohexane
CID 83150787
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64805519
methyl 3-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 63120139
2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropan-1-ol
CID 64806558
3-(2,2-dimethylpropylsulfanylmethyl)piperidine
CID 115070779
N-[2-(cyclopentylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 63120002
4-(cyclopentylmethylsulfanyl)-2,2-dimethylbutanenitrile
CID 65256662
methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate
CID 63921449
1-(3-bromo-2,2-dimethylpropyl)sulfanyl-3-methylcyclohexane
CID 65000897
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63907051

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane?
The IUPAC name of (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane (CID 65000271) is (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane.
What is the SMILES notation for (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane?
The canonical SMILES for (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane is CC(C)(CBr)CSCC1CCCC1.
What is the InChIKey of (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane?
The InChIKey is VJOIZDAFHDNRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrS/c1-11(2,8-12)9-13-7-10-5-3-4-6-10/h10H,3-9H2,1-2H3.
What are the key properties of (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane?
(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane has a molecular weight of 265.26 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane is sourced from PubChem (CID 65000271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).