1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

C15H27F2NO2S — CID 105168802

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(C1CCC(F)(F)CC1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H27F2NO2S/c1-18-14(11-6-8-15(16,17)9-7-11)12-4-3-5-13(10-12)21(2,19)20/h11-14,18H,3-10H2,1-2H3
InChIKeyWCAJYLBDITYYEO-UHFFFAOYSA-N
MW323.45 g/mol
LogP3.00
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105168802) has the molecular formula C15H27F2NO2S and a molecular weight of 323.45 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105168802
Molecular FormulaC15H27F2NO2S
Molecular Weight323.45 g/mol
Exact Mass323.17
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(C1CCC(F)(F)CC1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H27F2NO2S/c1-18-14(11-6-8-15(16,17)9-7-11)12-4-3-5-13(10-12)21(2,19)20/h11-14,18H,3-10H2,1-2H3
InChIKeyWCAJYLBDITYYEO-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106830383
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
N-methyl-1-(3-methyloxolan-2-yl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014218
1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 104610833
2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 105014178
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65390833
N-[(1-methylcyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]ethanamine
CID 106830384
N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine
CID 105014333
(2,2-dimethylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107192685
[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229423
N-ethyl-2-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014334
(2-methyloxan-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 80683428

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (CID 105168802) is 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is CNC(C1CCC(F)(F)CC1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is WCAJYLBDITYYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO2S/c1-18-14(11-6-8-15(16,17)9-7-11)12-4-3-5-13(10-12)21(2,19)20/h11-14,18H,3-10H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 323.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105168802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).