(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine

C9H13Br2NS — CID 131013810

IUPAC(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C[C@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H13Br2NS/c1-5(2)3-7(12)8-4-6(10)9(11)13-8/h4-5,7H,3,12H2,1-2H3/t7-/m0/s1
InChIKeyZZSSCNNIRBBIIB-ZETCQYMHSA-N
MW327.09 g/mol
LogP4.32
Rot. Bonds3

About (1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine

(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine (PubChem CID 131013810) 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)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
PubChem CID131013810
Molecular FormulaC9H13Br2NS
Molecular Weight327.09 g/mol
Exact Mass324.91
IUPAC Name(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C[C@H](N)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H13Br2NS/c1-5(2)3-7(12)8-4-6(10)9(11)13-8/h4-5,7H,3,12H2,1-2H3/t7-/m0/s1
InChIKeyZZSSCNNIRBBIIB-ZETCQYMHSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.09
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4,5-dibromothiophen-2-yl)-4-methylpentan-1-amine
CID 171215563
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
ethyl 5-amino-5-(4,5-dibromothiophen-2-yl)-3-methylpentanoate
CID 80535552
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793
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)-3-methylidenepentan-1-amine
CID 105005773
1-(4,5-dibromothiophen-2-yl)hex-4-yn-1-amine
CID 105037154
(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)-3-methylbutan-1-amine?
The IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine (CID 131013810) is (1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for (1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for (1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine is CC(C)C[C@H](N)c1cc(Br)c(Br)s1.
What is the InChIKey of (1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine?
The InChIKey is ZZSSCNNIRBBIIB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13Br2NS/c1-5(2)3-7(12)8-4-6(10)9(11)13-8/h4-5,7H,3,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine?
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine has a molecular weight of 327.09 g/mol, XLogP of 4.32, 3 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)-3-methylbutan-1-amine is sourced from PubChem (CID 131013810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).