1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

C15H25NO3S — CID 105014197

IUPAC1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(c1cc(C)oc1C)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H25NO3S/c1-10-8-14(11(2)19-10)15(16-3)12-6-5-7-13(9-12)20(4,17)18/h8,12-13,15-16H,5-7,9H2,1-4H3
InChIKeyHOUMDZRDMOLANO-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105014197) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105014197
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(c1cc(C)oc1C)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H25NO3S/c1-10-8-14(11(2)19-10)15(16-3)12-6-5-7-13(9-12)20(4,17)18/h8,12-13,15-16H,5-7,9H2,1-4H3
InChIKeyHOUMDZRDMOLANO-UHFFFAOYSA-N
XLogP2.76
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014136
N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105014277
1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106692658
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014165
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014289
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014378
1-(2,5-dimethylfuran-3-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64906824
[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251851
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 115567130
[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324176

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (CID 105014197) is 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is CNC(c1cc(C)oc1C)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is HOUMDZRDMOLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-10-8-14(11(2)19-10)15(16-3)12-6-5-7-13(9-12)20(4,17)18/h8,12-13,15-16H,5-7,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 299.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105014197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).