(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride

C9H12Br2ClNS — CID 171235193

IUPAC(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1cc(Br)c(Br)s1.Cl
InChIInChI=1S/C9H11Br2NS.ClH/c1-2-3-4-7(12)8-5-6(10)9(11)13-8;/h2,5,7H,1,3-4,12H2;1H/t7-;/m0./s1
InChIKeyAJVAGFAJAWMBRJ-FJXQXJEOSA-N
MW361.53 g/mol
LogP4.66
Rot. Bonds4

About (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride

(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride (PubChem CID 171235193) has the molecular formula C9H12Br2ClNS and a molecular weight of 361.53 g/mol. Its IUPAC name is (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
PubChem CID171235193
Molecular FormulaC9H12Br2ClNS
Molecular Weight361.53 g/mol
Exact Mass358.87
IUPAC Name(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1cc(Br)c(Br)s1.Cl
InChIInChI=1S/C9H11Br2NS.ClH/c1-2-3-4-7(12)8-5-6(10)9(11)13-8;/h2,5,7H,1,3-4,12H2;1H/t7-;/m0./s1
InChIKeyAJVAGFAJAWMBRJ-FJXQXJEOSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
(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
(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171235170
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)-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
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride (CID 171235193) is (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride is C=CCC[C@H](N)c1cc(Br)c(Br)s1.Cl.
What is the InChIKey of (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride?
The InChIKey is AJVAGFAJAWMBRJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H11Br2NS.ClH/c1-2-3-4-7(12)8-5-6(10)9(11)13-8;/h2,5,7H,1,3-4,12H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride?
(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride has a molecular weight of 361.53 g/mol, XLogP of 4.66, 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)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171235193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).