1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol

C14H20BrNOS — CID 103158833

IUPAC1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
SMILESNc1cc(Br)ccc1SCC(O)CC1CCCC1
InChIInChI=1S/C14H20BrNOS/c15-11-5-6-14(13(16)8-11)18-9-12(17)7-10-3-1-2-4-10/h5-6,8,10,12,17H,1-4,7,9,16H2
InChIKeyZQMUFKHMZHBBCY-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.06
Rot. Bonds5

About 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol

1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol (PubChem CID 103158833) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
PubChem CID103158833
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
SMILESNc1cc(Br)ccc1SCC(O)CC1CCCC1
InChIInChI=1S/C14H20BrNOS/c15-11-5-6-14(13(16)8-11)18-9-12(17)7-10-3-1-2-4-10/h5-6,8,10,12,17H,1-4,7,9,16H2
InChIKeyZQMUFKHMZHBBCY-UHFFFAOYSA-N
XLogP4.06
TPSA46.25 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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
CID 103160778
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873
1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
methyl 3-(2-amino-4-bromophenyl)sulfanyl-2-methylpropanoate
CID 61318042
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
CID 103157464
1-(2-amino-5-bromophenyl)sulfanylbutan-2-ol
CID 79533607
5-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43305678
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
5-bromo-2-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 65161086
5-bromo-2-(2,3-dichloroprop-2-enylsulfanyl)aniline
CID 79172954
2-(2-aminocyclohexyl)sulfanyl-5-bromoaniline
CID 106440977

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol (CID 103158833) is 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol is Nc1cc(Br)ccc1SCC(O)CC1CCCC1.
What is the InChIKey of 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
The InChIKey is ZQMUFKHMZHBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c15-11-5-6-14(13(16)8-11)18-9-12(17)7-10-3-1-2-4-10/h5-6,8,10,12,17H,1-4,7,9,16H2.
What are the key properties of 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol?
1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol has a molecular weight of 330.29 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103158833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).