[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol

C15H22BrNOS — CID 79640217

IUPAC[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(Sc2ccccc2Br)C1
InChIInChI=1S/C15H22BrNOS/c1-2-17-15(11-18)9-5-6-12(10-15)19-14-8-4-3-7-13(14)16/h3-4,7-8,12,17-18H,2,5-6,9-11H2,1H3
InChIKeyYDCUTQWXEHYRGS-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.82
Rot. Bonds5

About [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol

[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol (PubChem CID 79640217) has the molecular formula C15H22BrNOS and a molecular weight of 344.32 g/mol. Its IUPAC name is [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol
PubChem CID79640217
Molecular FormulaC15H22BrNOS
Molecular Weight344.32 g/mol
Exact Mass343.06
IUPAC Name[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(Sc2ccccc2Br)C1
InChIInChI=1S/C15H22BrNOS/c1-2-17-15(11-18)9-5-6-12(10-15)19-14-8-4-3-7-13(14)16/h3-4,7-8,12,17-18H,2,5-6,9-11H2,1H3
InChIKeyYDCUTQWXEHYRGS-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79647837
[3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79645308
3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654294
3-(2-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 79635712
[1-(ethylamino)-3-methylsulfanylcyclopentyl]methanol
CID 79646857
[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol
CID 107764670
[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645559
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79644568
[3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(ethylamino)cyclohexyl]methanol
CID 105418636
1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
CID 79653434
[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
CID 79640772

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol?
The IUPAC name of [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol (CID 79640217) is [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol is CCNC1(CO)CCCC(Sc2ccccc2Br)C1.
What is the InChIKey of [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol?
The InChIKey is YDCUTQWXEHYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNOS/c1-2-17-15(11-18)9-5-6-12(10-15)19-14-8-4-3-7-13(14)16/h3-4,7-8,12,17-18H,2,5-6,9-11H2,1H3.
What are the key properties of [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol?
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol has a molecular weight of 344.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).