1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine

C7H10BrNOS — CID 63942655

IUPAC1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1occc1Br
InChIInChI=1S/C7H10BrNOS/c1-11-4-6(9)7-5(8)2-3-10-7/h2-3,6H,4,9H2,1H3
InChIKeySUNWXTUKFVXHMT-UHFFFAOYSA-N
MW236.13 g/mol
LogP2.40
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine

1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine (PubChem CID 63942655) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
PubChem CID63942655
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1occc1Br
InChIInChI=1S/C7H10BrNOS/c1-11-4-6(9)7-5(8)2-3-10-7/h2-3,6H,4,9H2,1H3
InChIKeySUNWXTUKFVXHMT-UHFFFAOYSA-N
XLogP2.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine (CID 63942655) is 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine is CSCC(N)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine?
The InChIKey is SUNWXTUKFVXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS/c1-11-4-6(9)7-5(8)2-3-10-7/h2-3,6H,4,9H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine?
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine has a molecular weight of 236.13 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine is sourced from PubChem (CID 63942655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).