2-(2-bromophenyl)sulfanylethylcyclooctane

C16H23BrS — CID 155054934

IUPAC2-(2-bromophenyl)sulfanylethylcyclooctane
SMILESBrc1ccccc1SCCC1CCCCCCC1
InChIInChI=1S/C16H23BrS/c17-15-10-6-7-11-16(15)18-13-12-14-8-4-2-1-3-5-9-14/h6-7,10-11,14H,1-5,8-9,12-13H2
InChIKeyXNNLPBNIGJRWBN-UHFFFAOYSA-N
MW327.33 g/mol
LogP6.29
Rot. Bonds4

About 2-(2-bromophenyl)sulfanylethylcyclooctane

2-(2-bromophenyl)sulfanylethylcyclooctane (PubChem CID 155054934) has the molecular formula C16H23BrS and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanylethylcyclooctane.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanylethylcyclooctane
PubChem CID155054934
Molecular FormulaC16H23BrS
Molecular Weight327.33 g/mol
Exact Mass326.07
IUPAC Name2-(2-bromophenyl)sulfanylethylcyclooctane
SMILESBrc1ccccc1SCCC1CCCCCCC1
InChIInChI=1S/C16H23BrS/c17-15-10-6-7-11-16(15)18-13-12-14-8-4-2-1-3-5-9-14/h6-7,10-11,14H,1-5,8-9,12-13H2
InChIKeyXNNLPBNIGJRWBN-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.33
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-bromophenyl)sulfanylethyl]cycloheptanamine
CID 63515807
2-[2-(2-bromophenyl)sulfanylethyl]-1,3-dioxolane
CID 165440811
[1-(2-bromophenyl)sulfanyl-3-cyclopentylpropan-2-yl]hydrazine
CID 105238071
[2-(2-bromophenyl)sulfanyl-1-cycloheptylethyl]hydrazine
CID 105238114
2-(2-bromophenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 66144073
2-[2-(2-bromophenyl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79578175
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
1-bromo-2-(3-methylbutylsulfanyl)benzene
CID 91658466
4-(2-bromophenyl)sulfanyl-2-methylbutan-2-ol
CID 79176960
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
2-amino-3-(2-bromophenyl)sulfanyl-2-cyclopropylpropanenitrile
CID 63905719
3-(2-bromophenyl)sulfanyl-1-(4-cyclopentylpiperazin-1-yl)propan-1-one
CID 55712713

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanylethylcyclooctane?
The IUPAC name of 2-(2-bromophenyl)sulfanylethylcyclooctane (CID 155054934) is 2-(2-bromophenyl)sulfanylethylcyclooctane.
What is the SMILES notation for 2-(2-bromophenyl)sulfanylethylcyclooctane?
The canonical SMILES for 2-(2-bromophenyl)sulfanylethylcyclooctane is Brc1ccccc1SCCC1CCCCCCC1.
What is the InChIKey of 2-(2-bromophenyl)sulfanylethylcyclooctane?
The InChIKey is XNNLPBNIGJRWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrS/c17-15-10-6-7-11-16(15)18-13-12-14-8-4-2-1-3-5-9-14/h6-7,10-11,14H,1-5,8-9,12-13H2.
What are the key properties of 2-(2-bromophenyl)sulfanylethylcyclooctane?
2-(2-bromophenyl)sulfanylethylcyclooctane has a molecular weight of 327.33 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanylethylcyclooctane is sourced from PubChem (CID 155054934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).