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

C15H27NO2S — CID 107760100

IUPAC2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCCC(C)CS(=O)Cc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C15H27NO2S/c1-6-12(2)10-19(17)11-14-8-7-13(18-14)9-16-15(3,4)5/h7-8,12,16H,6,9-11H2,1-5H3
InChIKeyGKYOXLYXOVDIKC-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.46
Rot. Bonds7

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

2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 107760100) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID107760100
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCCC(C)CS(=O)Cc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C15H27NO2S/c1-6-12(2)10-19(17)11-14-8-7-13(18-14)9-16-15(3,4)5/h7-8,12,16H,6,9-11H2,1-5H3
InChIKeyGKYOXLYXOVDIKC-UHFFFAOYSA-N
XLogP3.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine (CID 107760100) is 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine is CCC(C)CS(=O)Cc1ccc(CNC(C)(C)C)o1.
What is the InChIKey of 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is GKYOXLYXOVDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-6-12(2)10-19(17)11-14-8-7-13(18-14)9-16-15(3,4)5/h7-8,12,16H,6,9-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 285.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107760100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).