1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine

C13H14FNO2S — CID 113372497

IUPAC1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(CS(=O)c2ccccc2F)o1
InChIInChI=1S/C13H14FNO2S/c1-15-8-10-6-7-11(17-10)9-18(16)13-5-3-2-4-12(13)14/h2-7,15H,8-9H2,1H3
InChIKeyOFKFUZACPBLMHG-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.45
Rot. Bonds5

About 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine

1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine (PubChem CID 113372497) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine
PubChem CID113372497
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(CS(=O)c2ccccc2F)o1
InChIInChI=1S/C13H14FNO2S/c1-15-8-10-6-7-11(17-10)9-18(16)13-5-3-2-4-12(13)14/h2-7,15H,8-9H2,1H3
InChIKeyOFKFUZACPBLMHG-UHFFFAOYSA-N
XLogP2.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine (CID 113372497) is 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine is CNCc1ccc(CS(=O)c2ccccc2F)o1.
What is the InChIKey of 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is OFKFUZACPBLMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-15-8-10-6-7-11(17-10)9-18(16)13-5-3-2-4-12(13)14/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine?
1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 267.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 113372497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).