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

C14H20BrNOS — CID 79647837

IUPAC[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCC(Sc2ccccc2Br)C1
InChIInChI=1S/C14H20BrNOS/c1-2-16-14(10-17)8-7-11(9-14)18-13-6-4-3-5-12(13)15/h3-6,11,16-17H,2,7-10H2,1H3
InChIKeyDIQZFTNOEWTEPB-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.43
Rot. Bonds5

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

[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79647837) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
PubChem CID79647837
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCC(Sc2ccccc2Br)C1
InChIInChI=1S/C14H20BrNOS/c1-2-16-14(10-17)8-7-11(9-14)18-13-6-4-3-5-12(13)15/h3-6,11,16-17H,2,7-10H2,1H3
InChIKeyDIQZFTNOEWTEPB-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclohexyl]methanol
CID 79640217
[3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79645308
3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79654294
[1-(ethylamino)-3-methylsulfanylcyclopentyl]methanol
CID 79646857
[3-(3,4-dichlorophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol
CID 79644568
[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645559
3-(2-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 79635712
1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
CID 79653434
methyl 3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylate
CID 79654313
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79646307
[3-(2-butan-2-ylphenoxy)-1-(ethylamino)cyclopentyl]methanol
CID 79647774
[1-(2-bromoanilino)-3-ethylcyclopentyl]methanol
CID 64514078

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol (CID 79647837) is [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCC(Sc2ccccc2Br)C1.
What is the InChIKey of [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is DIQZFTNOEWTEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-2-16-14(10-17)8-7-11(9-14)18-13-6-4-3-5-12(13)15/h3-6,11,16-17H,2,7-10H2,1H3.
What are the key properties of [3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol?
[3-(2-bromophenyl)sulfanyl-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 330.29 g/mol, XLogP of 3.43, 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)cyclopentyl]methanol is sourced from PubChem (CID 79647837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).