N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine

C8H12BrNOS — CID 130143336

IUPACN-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine
SMILESCCC(NO)c1cc(C)c(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-3-6(10-11)7-4-5(2)8(9)12-7/h4,6,10-11H,3H2,1-2H3
InChIKeyACIXWDNUTNOMHP-UHFFFAOYSA-N
MW250.16 g/mol
LogP3.25
Rot. Bonds3

About N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine

N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine (PubChem CID 130143336) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine
PubChem CID130143336
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC NameN-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine
SMILESCCC(NO)c1cc(C)c(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-3-6(10-11)7-4-5(2)8(9)12-7/h4,6,10-11H,3H2,1-2H3
InChIKeyACIXWDNUTNOMHP-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79991988
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
1-(5-bromo-4-methylthiophen-2-yl)-N-methyloctan-1-amine
CID 79991435
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115849742
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79992190
1-(5-bromo-4-methylthiophen-2-yl)heptylhydrazine
CID 105294058
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 79992082
1-(5-bromo-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 115865174
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine?
The IUPAC name of N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine (CID 130143336) is N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine.
What is the SMILES notation for N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine?
The canonical SMILES for N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine is CCC(NO)c1cc(C)c(Br)s1.
What is the InChIKey of N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine?
The InChIKey is ACIXWDNUTNOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-3-6(10-11)7-4-5(2)8(9)12-7/h4,6,10-11H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine?
N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine has a molecular weight of 250.16 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine is sourced from PubChem (CID 130143336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).