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

C13H20ClNO3S — CID 106692658

IUPAC1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(c1ccc(Cl)o1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H20ClNO3S/c1-15-13(11-6-7-12(14)18-11)9-4-3-5-10(8-9)19(2,16)17/h6-7,9-10,13,15H,3-5,8H2,1-2H3
InChIKeyDQGXQIFMTJRSIY-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.80
Rot. Bonds4

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

1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 106692658) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID106692658
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(c1ccc(Cl)o1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C13H20ClNO3S/c1-15-13(11-6-7-12(14)18-11)9-4-3-5-10(8-9)19(2,16)17/h6-7,9-10,13,15H,3-5,8H2,1-2H3
InChIKeyDQGXQIFMTJRSIY-UHFFFAOYSA-N
XLogP2.80
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine
CID 106692659
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014197
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014378
N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105014277
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 115567130
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014136
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014289
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014165
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (CID 106692658) is 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is CNC(c1ccc(Cl)o1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is DQGXQIFMTJRSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-15-13(11-6-7-12(14)18-11)9-4-3-5-10(8-9)19(2,16)17/h6-7,9-10,13,15H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 305.83 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 106692658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).