(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine

C9H11Br2NS — CID 171215559

IUPAC(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
SMILESC=CCC[C@@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H11Br2NS/c1-2-3-4-7(12)8-5-6(10)9(11)13-8/h2,5,7H,1,3-4,12H2/t7-/m1/s1
InChIKeyFDZJOHIUNDRKTM-SSDOTTSWSA-N
MW325.07 g/mol
LogP4.24
Rot. Bonds4

About (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine

(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine (PubChem CID 171215559) has the molecular formula C9H11Br2NS and a molecular weight of 325.07 g/mol. Its IUPAC name is (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
PubChem CID171215559
Molecular FormulaC9H11Br2NS
Molecular Weight325.07 g/mol
Exact Mass322.90
IUPAC Name(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
SMILESC=CCC[C@@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H11Br2NS/c1-2-3-4-7(12)8-5-6(10)9(11)13-8/h2,5,7H,1,3-4,12H2/t7-/m1/s1
InChIKeyFDZJOHIUNDRKTM-SSDOTTSWSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.07
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
CID 171235193
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171235170
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
6-amino-6-(4,5-dibromothiophen-2-yl)hexanoic acid
CID 80535411
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
1-(4,5-dibromothiophen-2-yl)-N-ethylhex-5-en-1-amine
CID 104987151

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine?
The IUPAC name of (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine (CID 171215559) is (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine.
What is the SMILES notation for (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine?
The canonical SMILES for (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine is C=CCC[C@@H](N)c1cc(Br)c(Br)s1.
What is the InChIKey of (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine?
The InChIKey is FDZJOHIUNDRKTM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11Br2NS/c1-2-3-4-7(12)8-5-6(10)9(11)13-8/h2,5,7H,1,3-4,12H2/t7-/m1/s1.
What are the key properties of (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine?
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine has a molecular weight of 325.07 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 171215559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).