(3-bromothiophen-2-yl)methanamine

C5H6BrNS — CID 47002497

IUPAC(3-bromothiophen-2-yl)methanamine
SMILESNCc1sccc1Br
InChIInChI=1S/C5H6BrNS/c6-4-1-2-8-5(4)3-7/h1-2H,3,7H2
InChIKeyWXHVQZUFYUSQPH-UHFFFAOYSA-N
MW192.08 g/mol
LogP1.97
Rot. Bonds1

About (3-bromothiophen-2-yl)methanamine

(3-bromothiophen-2-yl)methanamine (PubChem CID 47002497) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)methanamine
PubChem CID47002497
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name(3-bromothiophen-2-yl)methanamine
SMILESNCc1sccc1Br
InChIInChI=1S/C5H6BrNS/c6-4-1-2-8-5(4)3-7/h1-2H,3,7H2
InChIKeyWXHVQZUFYUSQPH-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)methanamine (CID 47002497) is (3-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)methanamine is NCc1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)methanamine?
The InChIKey is WXHVQZUFYUSQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c6-4-1-2-8-5(4)3-7/h1-2H,3,7H2.
What are the key properties of (3-bromothiophen-2-yl)methanamine?
(3-bromothiophen-2-yl)methanamine has a molecular weight of 192.08 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 47002497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).