4-[(4-bromothiophen-2-yl)amino]butan-2-one

C8H10BrNOS — CID 115235409

IUPAC4-[(4-bromothiophen-2-yl)amino]butan-2-one
SMILESCC(=O)CCNc1cc(Br)cs1
InChIInChI=1S/C8H10BrNOS/c1-6(11)2-3-10-8-4-7(9)5-12-8/h4-5,10H,2-3H2,1H3
InChIKeyNATOCOTUXAPAMP-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.90
Rot. Bonds4

About 4-[(4-bromothiophen-2-yl)amino]butan-2-one

4-[(4-bromothiophen-2-yl)amino]butan-2-one (PubChem CID 115235409) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 4-[(4-bromothiophen-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name4-[(4-bromothiophen-2-yl)amino]butan-2-one
PubChem CID115235409
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name4-[(4-bromothiophen-2-yl)amino]butan-2-one
SMILESCC(=O)CCNc1cc(Br)cs1
InChIInChI=1S/C8H10BrNOS/c1-6(11)2-3-10-8-4-7(9)5-12-8/h4-5,10H,2-3H2,1H3
InChIKeyNATOCOTUXAPAMP-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(bromomethyl)thiophen-2-amine
CID 115261580
methyl 4-[(4-bromothiophen-2-yl)amino]-3-hydroxybutanoate
CID 115123221
N-(4-bromothiophen-2-yl)-4-hydroxybutanamide
CID 115162800
3-amino-N-(4-bromothiophen-2-yl)-2-hydroxypropanamide
CID 115180285
1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191
4-(pyridin-4-ylamino)butan-2-one
CID 89125446
4-bromo-N-[[1-(methylaminomethyl)cyclobutyl]methyl]thiophen-2-amine
CID 115246053
3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926272
1-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 115586166
4-(4-bromothiophen-2-yl)-3-methyl-1-(2-oxopropyl)imidazolidin-2-one
CID 116982680
4-[(5-bromothiophen-2-yl)methylamino]butan-2-one
CID 115235637
2-[(4-bromothiophen-2-yl)methylamino]-2-methylpropanoic acid
CID 65263735

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromothiophen-2-yl)amino]butan-2-one?
The IUPAC name of 4-[(4-bromothiophen-2-yl)amino]butan-2-one (CID 115235409) is 4-[(4-bromothiophen-2-yl)amino]butan-2-one.
What is the SMILES notation for 4-[(4-bromothiophen-2-yl)amino]butan-2-one?
The canonical SMILES for 4-[(4-bromothiophen-2-yl)amino]butan-2-one is CC(=O)CCNc1cc(Br)cs1.
What is the InChIKey of 4-[(4-bromothiophen-2-yl)amino]butan-2-one?
The InChIKey is NATOCOTUXAPAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c1-6(11)2-3-10-8-4-7(9)5-12-8/h4-5,10H,2-3H2,1H3.
What are the key properties of 4-[(4-bromothiophen-2-yl)amino]butan-2-one?
4-[(4-bromothiophen-2-yl)amino]butan-2-one has a molecular weight of 248.14 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromothiophen-2-yl)amino]butan-2-one is sourced from PubChem (CID 115235409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).