(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine

C14H25F2NO2S — CID 105168795

IUPAC(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1CCCC(C(N)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H25F2NO2S/c1-20(18,19)12-4-2-3-11(9-12)13(17)10-5-7-14(15,16)8-6-10/h10-13H,2-9,17H2,1H3
InChIKeyJVOOCWCBSMQPTR-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.74
Rot. Bonds3

About (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine

(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 105168795) has the molecular formula C14H25F2NO2S and a molecular weight of 309.42 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID105168795
Molecular FormulaC14H25F2NO2S
Molecular Weight309.42 g/mol
Exact Mass309.16
IUPAC Name(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1CCCC(C(N)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H25F2NO2S/c1-20(18,19)12-4-2-3-11(9-12)13(17)10-5-7-14(15,16)8-6-10/h10-13H,2-9,17H2,1H3
InChIKeyJVOOCWCBSMQPTR-UHFFFAOYSA-N
XLogP2.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine
CID 139816891
3-Amino-4-(6,6-difluoro-7-methyl-3-bicyclo[3.3.1]nonanyl)butane-1-sulfonic acid
CID 148725123
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfonylbutan-1-amine
CID 64697037
1-(3-Methylsulfonylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 80061596
1-(3-Methylsulfonylcyclohexyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 80061597
3,3,3-Trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061841
3,3,3-trifluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80061842
3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)-N-propylpropan-1-amine
CID 80061844
N-ethyl-3,3,3-trifluoro-1-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 80062024
4,4,4-Trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80071820
4,4,4-trifluoro-N-methyl-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80071954
N-ethyl-4,4,4-trifluoro-1-(3-methylsulfonylcyclohexyl)butan-1-amine
CID 80072074

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine (CID 105168795) is (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine is CS(=O)(=O)C1CCCC(C(N)C2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is JVOOCWCBSMQPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2S/c1-20(18,19)12-4-2-3-11(9-12)13(17)10-5-7-14(15,16)8-6-10/h10-13H,2-9,17H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine?
(4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 309.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 105168795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).