(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine

C9H12BrNOS — CID 80621764

IUPAC(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine
SMILESNC(c1occc1Br)C1CCCS1
InChIInChI=1S/C9H12BrNOS/c10-6-3-4-12-9(6)8(11)7-2-1-5-13-7/h3-4,7-8H,1-2,5,11H2
InChIKeyQOZUQLSOKNNTKJ-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.94
Rot. Bonds2

About (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine

(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine (PubChem CID 80621764) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine
PubChem CID80621764
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine
SMILESNC(c1occc1Br)C1CCCS1
InChIInChI=1S/C9H12BrNOS/c10-6-3-4-12-9(6)8(11)7-2-1-5-13-7/h3-4,7-8H,1-2,5,11H2
InChIKeyQOZUQLSOKNNTKJ-UHFFFAOYSA-N
XLogP2.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine (CID 80621764) is (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine is NC(c1occc1Br)C1CCCS1.
What is the InChIKey of (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine?
The InChIKey is QOZUQLSOKNNTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c10-6-3-4-12-9(6)8(11)7-2-1-5-13-7/h3-4,7-8H,1-2,5,11H2.
What are the key properties of (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine?
(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine has a molecular weight of 262.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(thiolan-2-yl)methanamine is sourced from PubChem (CID 80621764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).