2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one

C10H14BrNO2S — CID 116593844

IUPAC2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)c1cscc1Br
InChIInChI=1S/C10H14BrNO2S/c1-14-4-2-3-9(12)10(13)7-5-15-6-8(7)11/h5-6,9H,2-4,12H2,1H3
InChIKeyHFEIBVDXKASZQH-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.45
Rot. Bonds6

About 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one

2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one (PubChem CID 116593844) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one
PubChem CID116593844
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)c1cscc1Br
InChIInChI=1S/C10H14BrNO2S/c1-14-4-2-3-9(12)10(13)7-5-15-6-8(7)11/h5-6,9H,2-4,12H2,1H3
InChIKeyHFEIBVDXKASZQH-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116554721
2-amino-1-(4-bromothiophen-3-yl)-3-phenylpropan-1-one
CID 116552564
2-amino-1-(3,5-difluorophenyl)-5-methoxypentan-1-one
CID 116593859
5-amino-1-(4-bromothiophen-3-yl)hexan-1-one
CID 116610226
2-amino-1-(5-chlorothiophen-2-yl)-5-methoxypentan-1-one
CID 116593659
2-amino-5-methoxypentanoic acid
CID 18361135
2-(aminomethyl)-1-(4-bromothiophen-3-yl)butan-1-one
CID 116575230
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470
4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one
CID 116593795
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219
2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone
CID 116551297
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one (CID 116593844) is 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one is COCCCC(N)C(=O)c1cscc1Br.
What is the InChIKey of 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one?
The InChIKey is HFEIBVDXKASZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-14-4-2-3-9(12)10(13)7-5-15-6-8(7)11/h5-6,9H,2-4,12H2,1H3.
What are the key properties of 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one?
2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one has a molecular weight of 292.20 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromothiophen-3-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 116593844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).