(2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol

C14H14BrNOS — CID 165355199

IUPAC(2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol
SMILESN[C@H](CO)c1cccc(Sc2ccccc2Br)c1
InChIInChI=1S/C14H14BrNOS/c15-12-6-1-2-7-14(12)18-11-5-3-4-10(8-11)13(16)9-17/h1-8,13,17H,9,16H2/t13-/m1/s1
InChIKeyWHBQTQHOFPPRBO-CYBMUJFWSA-N
MW324.24 g/mol
LogP3.59
Rot. Bonds4

About (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol

(2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol (PubChem CID 165355199) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol
PubChem CID165355199
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name(2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol
SMILESN[C@H](CO)c1cccc(Sc2ccccc2Br)c1
InChIInChI=1S/C14H14BrNOS/c15-12-6-1-2-7-14(12)18-11-5-3-4-10(8-11)13(16)9-17/h1-8,13,17H,9,16H2/t13-/m1/s1
InChIKeyWHBQTQHOFPPRBO-CYBMUJFWSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63182942
2-bromo-4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825705
2-bromo-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837024
2-Amino-2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)ethanol
CID 117449417
2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 3809935
(2S)-2-Amino-2-(3-methylthiophenyl)ethan-1-ol
CID 55278697
2-Amino-2-[3-(methylsulfanyl)phenyl]ethan-1-ol
CID 55282832
(R)-2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 74226380
(S)-2-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 90313800
2-[(2-Bromophenyl)sulfanylamino]-2-phenylethanol
CID 137396014
2-Amino-3-(3-bromophenyl)sulfanyl-2-phenylpropan-1-ol
CID 64806100
3-(2-Bromophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol
CID 64820835

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol (CID 165355199) is (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol is N[C@H](CO)c1cccc(Sc2ccccc2Br)c1.
What is the InChIKey of (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol?
The InChIKey is WHBQTQHOFPPRBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-12-6-1-2-7-14(12)18-11-5-3-4-10(8-11)13(16)9-17/h1-8,13,17H,9,16H2/t13-/m1/s1.
What are the key properties of (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol?
(2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol has a molecular weight of 324.24 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(2-bromophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 165355199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).