4-bromobutylsulfanylmethylcyclopentane

C10H19BrS — CID 63118833

IUPAC4-bromobutylsulfanylmethylcyclopentane
SMILESBrCCCCSCC1CCCC1
InChIInChI=1S/C10H19BrS/c11-7-3-4-8-12-9-10-5-1-2-6-10/h10H,1-9H2
InChIKeyYUPGEHWGAGOKRL-UHFFFAOYSA-N
MW251.23 g/mol
LogP4.08
Rot. Bonds6

About 4-bromobutylsulfanylmethylcyclopentane

4-bromobutylsulfanylmethylcyclopentane (PubChem CID 63118833) has the molecular formula C10H19BrS and a molecular weight of 251.23 g/mol. Its IUPAC name is 4-bromobutylsulfanylmethylcyclopentane.

Molecular Properties

Compound Name4-bromobutylsulfanylmethylcyclopentane
PubChem CID63118833
Molecular FormulaC10H19BrS
Molecular Weight251.23 g/mol
Exact Mass250.04
IUPAC Name4-bromobutylsulfanylmethylcyclopentane
SMILESBrCCCCSCC1CCCC1
InChIInChI=1S/C10H19BrS/c11-7-3-4-8-12-9-10-5-1-2-6-10/h10H,1-9H2
InChIKeyYUPGEHWGAGOKRL-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclobutylmethylsulfanyl)propan-1-ol
CID 66127430
3-(cyclopentylmethylsulfanyl)propanal
CID 63119784
3-(cyclopentylmethylsulfanyl)propanenitrile
CID 63119318
N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine
CID 63119889
(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane
CID 65000271
6-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)hexanenitrile
CID 63120138
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64806770
N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
CID 115908421
4-bromobutoxymethylcyclopentane
CID 66323692
3-(aminomethyl)-6-(cyclopentylmethylsulfanyl)hexan-3-ol
CID 106811611
4-[3-(cyclopentylmethylsulfanyl)propoxy]aniline
CID 63119424
6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64808646

Frequently Asked Questions

What is the IUPAC name of 4-bromobutylsulfanylmethylcyclopentane?
The IUPAC name of 4-bromobutylsulfanylmethylcyclopentane (CID 63118833) is 4-bromobutylsulfanylmethylcyclopentane.
What is the SMILES notation for 4-bromobutylsulfanylmethylcyclopentane?
The canonical SMILES for 4-bromobutylsulfanylmethylcyclopentane is BrCCCCSCC1CCCC1.
What is the InChIKey of 4-bromobutylsulfanylmethylcyclopentane?
The InChIKey is YUPGEHWGAGOKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrS/c11-7-3-4-8-12-9-10-5-1-2-6-10/h10H,1-9H2.
What are the key properties of 4-bromobutylsulfanylmethylcyclopentane?
4-bromobutylsulfanylmethylcyclopentane has a molecular weight of 251.23 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutylsulfanylmethylcyclopentane is sourced from PubChem (CID 63118833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).