(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine

C7H9Br2NS — CID 82758330

IUPAC(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
SMILESCC[C@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H9Br2NS/c1-2-5(10)6-3-4(8)7(9)11-6/h3,5H,2,10H2,1H3/t5-/m0/s1
InChIKeyWQRDIPIOZCERLR-YFKPBYRVSA-N
MW299.03 g/mol
LogP3.68
Rot. Bonds2

About (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine

(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine (PubChem CID 82758330) has the molecular formula C7H9Br2NS and a molecular weight of 299.03 g/mol. Its IUPAC name is (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
PubChem CID82758330
Molecular FormulaC7H9Br2NS
Molecular Weight299.03 g/mol
Exact Mass296.88
IUPAC Name(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
SMILESCC[C@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H9Br2NS/c1-2-5(10)6-3-4(8)7(9)11-6/h3,5H,2,10H2,1H3/t5-/m0/s1
InChIKeyWQRDIPIOZCERLR-YFKPBYRVSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.03
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
1-(4,5-dibromothiophen-2-yl)-3-methylidenepentan-1-amine
CID 105005773
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 80533046
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154
2-(4-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 80532924
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine (CID 82758330) is (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine is CC[C@H](N)c1cc(Br)c(Br)s1.
What is the InChIKey of (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine?
The InChIKey is WQRDIPIOZCERLR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9Br2NS/c1-2-5(10)6-3-4(8)7(9)11-6/h3,5H,2,10H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine?
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine has a molecular weight of 299.03 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 82758330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).