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

C9H13Br2NS — CID 171235173

IUPAC(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H13Br2NS/c1-2-3-4-7(12)8-5-6(10)9(11)13-8/h5,7H,2-4,12H2,1H3/t7-/m0/s1
InChIKeyNHPJRUXQLLTIHH-ZETCQYMHSA-N
MW327.09 g/mol
LogP4.46
Rot. Bonds4

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

(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine (PubChem CID 171235173) has the molecular formula C9H13Br2NS and a molecular weight of 327.09 g/mol. Its IUPAC name is (1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
PubChem CID171235173
Molecular FormulaC9H13Br2NS
Molecular Weight327.09 g/mol
Exact Mass324.91
IUPAC Name(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H13Br2NS/c1-2-3-4-7(12)8-5-6(10)9(11)13-8/h5,7H,2-4,12H2,1H3/t7-/m0/s1
InChIKeyNHPJRUXQLLTIHH-ZETCQYMHSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.09
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-amine
CID 80531015
(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
CID 114752618
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
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
(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)pentan-1-amine?
The IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine (CID 171235173) is (1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine?
The canonical SMILES for (1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine is CCCC[C@H](N)c1cc(Br)c(Br)s1.
What is the InChIKey of (1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine?
The InChIKey is NHPJRUXQLLTIHH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13Br2NS/c1-2-3-4-7(12)8-5-6(10)9(11)13-8/h5,7H,2-4,12H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine?
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine has a molecular weight of 327.09 g/mol, XLogP of 4.46, 4 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)pentan-1-amine is sourced from PubChem (CID 171235173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).