5-amino-5-(5-bromothiophen-2-yl)pentan-2-one

C9H12BrNOS — CID 116940683

IUPAC5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
SMILESCC(=O)CCC(N)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNOS/c1-6(12)2-3-7(11)8-4-5-9(10)13-8/h4-5,7H,2-3,11H2,1H3
InChIKeyFXZRNAZIAZTWKY-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.88
Rot. Bonds4

About 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one

5-amino-5-(5-bromothiophen-2-yl)pentan-2-one (PubChem CID 116940683) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
PubChem CID116940683
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
SMILESCC(=O)CCC(N)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNOS/c1-6(12)2-3-7(11)8-4-5-9(10)13-8/h4-5,7H,2-3,11H2,1H3
InChIKeyFXZRNAZIAZTWKY-UHFFFAOYSA-N
XLogP2.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate
CID 61104183
methyl (3S)-3-amino-3-(5-bromothiophen-2-yl)propanoate
CID 29059589
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
2-[2-amino-2-(5-bromothiophen-2-yl)ethoxy]acetamide
CID 61329171
methyl 5-amino-5-(5-bromothiophen-2-yl)-3-methylpentanoate
CID 62942196
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
3-amino-3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]propanoic acid
CID 170872483
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one
CID 116940760
1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 114474798

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one?
The IUPAC name of 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one (CID 116940683) is 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one?
The canonical SMILES for 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one is CC(=O)CCC(N)c1ccc(Br)s1.
What is the InChIKey of 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one?
The InChIKey is FXZRNAZIAZTWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-6(12)2-3-7(11)8-4-5-9(10)13-8/h4-5,7H,2-3,11H2,1H3.
What are the key properties of 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one?
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one has a molecular weight of 262.17 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(5-bromothiophen-2-yl)pentan-2-one is sourced from PubChem (CID 116940683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).