N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine

C12H21NO3S — CID 113372511

IUPACN-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCOCCS(=O)Cc1ccc(CNC(C)C)o1
InChIInChI=1S/C12H21NO3S/c1-10(2)13-8-11-4-5-12(16-11)9-17(14)7-6-15-3/h4-5,10,13H,6-9H2,1-3H3
InChIKeyGBOOXLHPFFPSSD-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.67
Rot. Bonds8

About N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 113372511) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID113372511
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC NameN-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCOCCS(=O)Cc1ccc(CNC(C)C)o1
InChIInChI=1S/C12H21NO3S/c1-10(2)13-8-11-4-5-12(16-11)9-17(14)7-6-15-3/h4-5,10,13H,6-9H2,1-3H3
InChIKeyGBOOXLHPFFPSSD-UHFFFAOYSA-N
XLogP1.67
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine (CID 113372511) is N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine is COCCS(=O)Cc1ccc(CNC(C)C)o1.
What is the InChIKey of N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is GBOOXLHPFFPSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-10(2)13-8-11-4-5-12(16-11)9-17(14)7-6-15-3/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 259.37 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 113372511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).