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

C12H21NO2S — CID 107759880

IUPACN-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine
SMILESCCC(C)CS(=O)Cc1ccc(CNC)o1
InChIInChI=1S/C12H21NO2S/c1-4-10(2)8-16(14)9-12-6-5-11(15-12)7-13-3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyXKDPCVMDGUXJSM-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.29
Rot. Bonds7

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

N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine (PubChem CID 107759880) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine
PubChem CID107759880
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine
SMILESCCC(C)CS(=O)Cc1ccc(CNC)o1
InChIInChI=1S/C12H21NO2S/c1-4-10(2)8-16(14)9-12-6-5-11(15-12)7-13-3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyXKDPCVMDGUXJSM-UHFFFAOYSA-N
XLogP2.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
CID 107760100
5-(2-methylbutylsulfinylmethyl)furan-2-carbaldehyde
CID 107767810
N-methyl-1-(5-pentan-3-ylfuran-2-yl)methanamine
CID 83828415
2-(2-methylbutylsulfinylmethyl)-1-benzofuran-3-carboxylic acid
CID 107753324
1-[5-[(2-fluorophenyl)sulfinylmethyl]furan-2-yl]-N-methylmethanamine
CID 113372497
N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107759940
N-[[5-(2-methoxyethylsulfinylmethyl)furan-2-yl]methyl]propan-2-amine
CID 113372511
N-methyl-1-[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methanamine
CID 66274886
1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107760021
1-[4-ethoxy-3-(2-methylbutylsulfinylmethyl)phenyl]ethanone
CID 103746908
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429023

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine (CID 107759880) is N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine is CCC(C)CS(=O)Cc1ccc(CNC)o1.
What is the InChIKey of N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine?
The InChIKey is XKDPCVMDGUXJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-10(2)8-16(14)9-12-6-5-11(15-12)7-13-3/h5-6,10,13H,4,7-9H2,1-3H3.
What are the key properties of N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine?
N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine has a molecular weight of 243.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylbutylsulfinylmethyl)furan-2-yl]methanamine is sourced from PubChem (CID 107759880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).