trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride

C7H9BrClNS — CID 91647607

IUPACtrans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccc(Br)s1
InChIInChI=1S/C7H8BrNS.ClH/c8-7-2-1-6(10-7)4-3-5(4)9;/h1-2,4-5H,3,9H2;1H/t4-,5-;/m1./s1
InChIKeyLBIZQHIHGWNYHM-TYSVMGFPSA-N
MW254.58 g/mol
LogP2.75
Rot. Bonds1

About trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride

trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride (PubChem CID 91647607) has the molecular formula C7H9BrClNS and a molecular weight of 254.58 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride
PubChem CID91647607
Molecular FormulaC7H9BrClNS
Molecular Weight254.58 g/mol
Exact Mass252.93
IUPAC Nametrans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccc(Br)s1
InChIInChI=1S/C7H8BrNS.ClH/c8-7-2-1-6(10-7)4-3-5(4)9;/h1-2,4-5H,3,9H2;1H/t4-,5-;/m1./s1
InChIKeyLBIZQHIHGWNYHM-TYSVMGFPSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.58
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride (CID 91647607) is trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@H]1c1ccc(Br)s1.
What is the InChIKey of trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride?
The InChIKey is LBIZQHIHGWNYHM-TYSVMGFPSA-N. The full InChI is InChI=1S/C7H8BrNS.ClH/c8-7-2-1-6(10-7)4-3-5(4)9;/h1-2,4-5H,3,9H2;1H/t4-,5-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride?
trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride has a molecular weight of 254.58 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 91647607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).