(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one

C7H8BrNOS — CID 96896773

IUPAC(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
SMILESC[C@@H](N)C(=O)c1sccc1Br
InChIInChI=1S/C7H8BrNOS/c1-4(9)6(10)7-5(8)2-3-11-7/h2-4H,9H2,1H3/t4-/m1/s1
InChIKeyILGTXZOJACSVAP-SCSAIBSYSA-N
MW234.12 g/mol
LogP2.04
Rot. Bonds2

About (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one

(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one (PubChem CID 96896773) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
PubChem CID96896773
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
SMILESC[C@@H](N)C(=O)c1sccc1Br
InChIInChI=1S/C7H8BrNOS/c1-4(9)6(10)7-5(8)2-3-11-7/h2-4H,9H2,1H3/t4-/m1/s1
InChIKeyILGTXZOJACSVAP-SCSAIBSYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
1-(3-bromothiophen-2-yl)-2-methoxy-3-methylbutan-1-one
CID 116708553
1-(3-bromothiophen-2-yl)-2-hydroxybutan-1-one
CID 103453115
2-(3-bromothiophene-2-carbonyl)propanedinitrile
CID 79169765
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone
CID 103458210
3-bromothiophene-2-carbonyl chloride
CID 2797569
N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 119583431
1-(3-bromothiophen-2-yl)-2-methoxy-2-phenylethanone
CID 116751377
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340
2-amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-one
CID 84698272
3-(aminomethyl)-1-(3-bromothiophen-2-yl)-5-methylhexan-1-one
CID 116576847

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one (CID 96896773) is (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one is C[C@@H](N)C(=O)c1sccc1Br.
What is the InChIKey of (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one?
The InChIKey is ILGTXZOJACSVAP-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-4(9)6(10)7-5(8)2-3-11-7/h2-4H,9H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one?
(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one has a molecular weight of 234.12 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one is sourced from PubChem (CID 96896773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).