N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine

C14H17NO4S — CID 62484331

IUPACN-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(COc2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C14H17NO4S/c1-15-9-12-6-7-13(19-12)10-18-11-4-3-5-14(8-11)20(2,16)17/h3-8,15H,9-10H2,1-2H3
InChIKeyGXZPQWPSYUNPCL-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine

N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 62484331) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID62484331
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC NameN-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine
SMILESCNCc1ccc(COc2cccc(S(C)(=O)=O)c2)o1
InChIInChI=1S/C14H17NO4S/c1-15-9-12-6-7-13(19-12)10-18-11-4-3-5-14(8-11)20(2,16)17/h3-8,15H,9-10H2,1-2H3
InChIKeyGXZPQWPSYUNPCL-UHFFFAOYSA-N
XLogP1.98
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 62486836
1-[5-[[3-(methoxymethyl)phenoxy]methyl]furan-2-yl]-N-methylmethanamine
CID 63986399
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
N-methyl-1-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanamine
CID 62460500
5-[(3-methylsulfonylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569829
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791
5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
CID 39995738
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
N-methyl-1-[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanamine
CID 106486033
5-methyl-4-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 62273090

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine (CID 62484331) is N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine is CNCc1ccc(COc2cccc(S(C)(=O)=O)c2)o1.
What is the InChIKey of N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is GXZPQWPSYUNPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-15-9-12-6-7-13(19-12)10-18-11-4-3-5-14(8-11)20(2,16)17/h3-8,15H,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine?
N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 295.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62484331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).