1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine

C15H27F3N2O2S — CID 139816891

IUPAC1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine
SMILESNC(C1CCCCC1)C(N)(C1CCCCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H27F3N2O2S/c16-15(17,18)23(21,22)14(20,12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11/h11-13H,1-10,19-20H2
InChIKeyLYQWFGXMCKJDCD-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.06
Rot. Bonds4

About 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine

1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine (PubChem CID 139816891) has the molecular formula C15H27F3N2O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine
PubChem CID139816891
Molecular FormulaC15H27F3N2O2S
Molecular Weight356.45 g/mol
Exact Mass356.17
IUPAC Name1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine
SMILESNC(C1CCCCC1)C(N)(C1CCCCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H27F3N2O2S/c16-15(17,18)23(21,22)14(20,12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11/h11-13H,1-10,19-20H2
InChIKeyLYQWFGXMCKJDCD-UHFFFAOYSA-N
XLogP3.06
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-Difluorocyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105168795
1-(3,3-Difluorocyclohexyl)-3-methyl-3-methylsulfonylbutan-2-amine
CID 114225818
1,2-Dicyclohexyl-1-methylsulfonylethane-1,2-diamine
CID 139816890

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine?
The IUPAC name of 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine (CID 139816891) is 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine.
What is the SMILES notation for 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine?
The canonical SMILES for 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine is NC(C1CCCCC1)C(N)(C1CCCCC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine?
The InChIKey is LYQWFGXMCKJDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O2S/c16-15(17,18)23(21,22)14(20,12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11/h11-13H,1-10,19-20H2.
What are the key properties of 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine?
1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine has a molecular weight of 356.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-1-(trifluoromethylsulfonyl)ethane-1,2-diamine is sourced from PubChem (CID 139816891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).