N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide

C10H14F6N2O5S2 — CID 135078942

IUPACN-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
SMILESCC(=O)N(C1CCCC[C@H]1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F6N2O5S2/c1-6(19)18(25(22,23)10(14,15)16)8-5-3-2-4-7(8)17-24(20,21)9(11,12)13/h7-8,17H,2-5H2,1H3/t7-,8?/m1/s1
InChIKeyNNCINUMREVTBQM-GVHYBUMESA-N
MW420.35 g/mol
LogP1.43
Rot. Bonds4

About N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide

N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide (PubChem CID 135078942) has the molecular formula C10H14F6N2O5S2 and a molecular weight of 420.35 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
PubChem CID135078942
Molecular FormulaC10H14F6N2O5S2
Molecular Weight420.35 g/mol
Exact Mass420.02
IUPAC NameN-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
SMILESCC(=O)N(C1CCCC[C@H]1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F6N2O5S2/c1-6(19)18(25(22,23)10(14,15)16)8-5-3-2-4-7(8)17-24(20,21)9(11,12)13/h7-8,17H,2-5H2,1H3/t7-,8?/m1/s1
InChIKeyNNCINUMREVTBQM-GVHYBUMESA-N
XLogP1.43
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide?
The IUPAC name of N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide (CID 135078942) is N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide is CC(=O)N(C1CCCC[C@H]1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide?
The InChIKey is NNCINUMREVTBQM-GVHYBUMESA-N. The full InChI is InChI=1S/C10H14F6N2O5S2/c1-6(19)18(25(22,23)10(14,15)16)8-5-3-2-4-7(8)17-24(20,21)9(11,12)13/h7-8,17H,2-5H2,1H3/t7-,8?/m1/s1.
What are the key properties of N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide?
N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide has a molecular weight of 420.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)-N-[(2R)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide is sourced from PubChem (CID 135078942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).