N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine

C14H23NO3S — CID 105014136

IUPACN-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(c1coc(C)c1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H23NO3S/c1-10-7-12(9-18-10)14(15-2)11-5-4-6-13(8-11)19(3,16)17/h7,9,11,13-15H,4-6,8H2,1-3H3
InChIKeyOYLLCRIZQQATQV-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.45
Rot. Bonds4

About N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine

N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105014136) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105014136
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(c1coc(C)c1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H23NO3S/c1-10-7-12(9-18-10)14(15-2)11-5-4-6-13(8-11)19(3,16)17/h7,9,11,13-15H,4-6,8H2,1-3H3
InChIKeyOYLLCRIZQQATQV-UHFFFAOYSA-N
XLogP2.45
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.45
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-(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-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 115567130
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
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
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
[(3-methylcyclohexyl)-(5-methylfuran-3-yl)methyl]hydrazine
CID 105313572
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
[(3-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine (CID 105014136) is N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine is CNC(c1coc(C)c1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is OYLLCRIZQQATQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10-7-12(9-18-10)14(15-2)11-5-4-6-13(8-11)19(3,16)17/h7,9,11,13-15H,4-6,8H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine?
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 285.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105014136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).