4-amino-1-(4-bromothiophen-3-yl)pentan-1-one

C9H12BrNOS — CID 116571770

IUPAC4-amino-1-(4-bromothiophen-3-yl)pentan-1-one
SMILESCC(N)CCC(=O)c1cscc1Br
InChIInChI=1S/C9H12BrNOS/c1-6(11)2-3-9(12)7-4-13-5-8(7)10/h4-6H,2-3,11H2,1H3
InChIKeyTYSZKYKXANZHCQ-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one

4-amino-1-(4-bromothiophen-3-yl)pentan-1-one (PubChem CID 116571770) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(4-bromothiophen-3-yl)pentan-1-one
PubChem CID116571770
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name4-amino-1-(4-bromothiophen-3-yl)pentan-1-one
SMILESCC(N)CCC(=O)c1cscc1Br
InChIInChI=1S/C9H12BrNOS/c1-6(11)2-3-9(12)7-4-13-5-8(7)10/h4-6H,2-3,11H2,1H3
InChIKeyTYSZKYKXANZHCQ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(4-bromothiophen-3-yl)hexan-1-one
CID 116610226
1-(4-bromothiophen-3-yl)-4-methylpentan-1-one
CID 79596702
6-amino-1-(4-bromothiophen-3-yl)-4-methylhexan-1-one
CID 116581718
4-(2-aminoethyl)-1-(4-bromothiophen-3-yl)-5-methylhexan-1-one
CID 116578005
4-(2-aminoethyl)-1-(4-bromothiophen-3-yl)-5,5-dimethylhexan-1-one
CID 116578526
1-(4-bromothiophen-3-yl)-4-(propan-2-ylamino)butan-1-one
CID 116558286
1-(4-bromothiophen-3-yl)-4-hydroxybutan-1-one
CID 106677550
2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116554721
1-(4-bromothiophen-3-yl)-3,5,5-trimethylhexan-1-one
CID 115784113
1-(4-bromothiophen-3-yl)-2-butan-2-ylsulfanylethanone
CID 79596052
1-(4-bromothiophen-3-yl)-2-ethylsulfanylethanone
CID 79595837
1-(4-bromothiophen-3-yl)-2-(1-methylcyclopropyl)ethanone
CID 130914229

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one?
The IUPAC name of 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one (CID 116571770) is 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one?
The canonical SMILES for 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one is CC(N)CCC(=O)c1cscc1Br.
What is the InChIKey of 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one?
The InChIKey is TYSZKYKXANZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-6(11)2-3-9(12)7-4-13-5-8(7)10/h4-6H,2-3,11H2,1H3.
What are the key properties of 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one?
4-amino-1-(4-bromothiophen-3-yl)pentan-1-one has a molecular weight of 262.17 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-bromothiophen-3-yl)pentan-1-one is sourced from PubChem (CID 116571770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).