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

C7H8BrNS — CID 91647608

IUPACtrans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccc(Br)s1
InChIInChI=1S/C7H8BrNS/c8-7-2-1-6(10-7)4-3-5(4)9/h1-2,4-5H,3,9H2/t4-,5-/m1/s1
InChIKeyYOZWARUYCJJUCK-RFZPGFLSSA-N
MW218.12 g/mol
LogP2.33
Rot. Bonds1

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

trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine (PubChem CID 91647608) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine
PubChem CID91647608
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Nametrans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccc(Br)s1
InChIInChI=1S/C7H8BrNS/c8-7-2-1-6(10-7)4-3-5(4)9/h1-2,4-5H,3,9H2/t4-,5-/m1/s1
InChIKeyYOZWARUYCJJUCK-RFZPGFLSSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.33
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?
The IUPAC name of trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine (CID 91647608) is trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine is 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?
The InChIKey is YOZWARUYCJJUCK-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H8BrNS/c8-7-2-1-6(10-7)4-3-5(4)9/h1-2,4-5H,3,9H2/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine?
trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropan-1-amine has a molecular weight of 218.12 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 91647608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).