(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide

C12H17BrN2OS — CID 119322850

IUPAC(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
SMILESCC(CNC(=O)[C@@H](C)N)Sc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2OS/c1-8(7-15-12(16)9(2)14)17-11-5-3-10(13)4-6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyWBTTZYXPDCCOLA-YGPZHTELSA-N
MW317.25 g/mol
LogP2.39
Rot. Bonds5

About (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide

(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide (PubChem CID 119322850) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
PubChem CID119322850
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide
SMILESCC(CNC(=O)[C@@H](C)N)Sc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2OS/c1-8(7-15-12(16)9(2)14)17-11-5-3-10(13)4-6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyWBTTZYXPDCCOLA-YGPZHTELSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
CID 119335478
N-[2-(4-bromophenyl)sulfanylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782383
2-[2-(4-bromophenyl)sulfanylpropylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184859
N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]-4-bromobenzamide
CID 119299513
N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119322845
N-[2-(4-bromophenyl)sulfanylpropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119322831
(2R)-N-[(2R)-2-(4-bromophenyl)sulfanylpropyl]-1,4-dioxane-2-carboxamide
CID 95240217
N-[2-(4-bromophenyl)sulfanylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 86904362
2-methylsulfanyl-N-(2-phenylsulfanylpropyl)propanamide
CID 71994113
(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
CID 119328873
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
(2R,3S)-N-[2-(4-bromophenyl)sulfanylpropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932287

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide (CID 119322850) is (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide is CC(CNC(=O)[C@@H](C)N)Sc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide?
The InChIKey is WBTTZYXPDCCOLA-YGPZHTELSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-8(7-15-12(16)9(2)14)17-11-5-3-10(13)4-6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide?
(2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide has a molecular weight of 317.25 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-bromophenyl)sulfanylpropyl]propanamide is sourced from PubChem (CID 119322850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).