N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine

C16H27NO3S — CID 105014277

IUPACN-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1c(C)oc(C)c1C)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H27NO3S/c1-10-11(2)20-12(3)15(10)16(17-4)13-7-6-8-14(9-13)21(5,18)19/h13-14,16-17H,6-9H2,1-5H3
InChIKeyXIZOEFZAXWJXLI-UHFFFAOYSA-N
MW313.46 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine

N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 105014277) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID105014277
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1c(C)oc(C)c1C)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H27NO3S/c1-10-11(2)20-12(3)15(10)16(17-4)13-7-6-8-14(9-13)21(5,18)19/h13-14,16-17H,6-9H2,1-5H3
InChIKeyXIZOEFZAXWJXLI-UHFFFAOYSA-N
XLogP3.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014197
1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106692658
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014136
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
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
2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 105014178
N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014218
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 115567130
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014165
[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324176
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 105014277) is N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine is CNC(c1c(C)oc(C)c1C)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is XIZOEFZAXWJXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-10-11(2)20-12(3)15(10)16(17-4)13-7-6-8-14(9-13)21(5,18)19/h13-14,16-17H,6-9H2,1-5H3.
What are the key properties of N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 313.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 105014277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).