N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine

C7H10BrNOS — CID 130715091

IUPACN-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
SMILESCC[C@@H](NO)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNOS/c1-2-5(9-10)6-3-4-7(8)11-6/h3-5,9-10H,2H2,1H3/t5-/m1/s1
InChIKeyPKPIPEDZSHYCJQ-RXMQYKEDSA-N
MW236.13 g/mol
LogP2.94
Rot. Bonds3

About N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine

N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine (PubChem CID 130715091) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
PubChem CID130715091
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC NameN-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
SMILESCC[C@@H](NO)c1ccc(Br)s1
InChIInChI=1S/C7H10BrNOS/c1-2-5(9-10)6-3-4-7(8)11-6/h3-5,9-10H,2H2,1H3/t5-/m1/s1
InChIKeyPKPIPEDZSHYCJQ-RXMQYKEDSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 52.94
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-bromothiophen-2-yl)propylhydrazine
CID 105222163
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
1-(5-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474799
N-[1-(5-bromo-4-methylthiophen-2-yl)propyl]hydroxylamine
CID 130143336
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 114474798
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 63431288
2-[(5-bromothiophen-2-yl)-hydroxymethyl]butanoic acid
CID 62398841
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
1-(5-bromothiophen-2-yl)hexylhydrazine
CID 105222257

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine?
The IUPAC name of N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine (CID 130715091) is N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine.
What is the SMILES notation for N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine?
The canonical SMILES for N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine is CC[C@@H](NO)c1ccc(Br)s1.
What is the InChIKey of N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine?
The InChIKey is PKPIPEDZSHYCJQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10BrNOS/c1-2-5(9-10)6-3-4-7(8)11-6/h3-5,9-10H,2H2,1H3/t5-/m1/s1.
What are the key properties of N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine?
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine has a molecular weight of 236.13 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine is sourced from PubChem (CID 130715091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).