N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide

C10H14F6N2O5S2 — CID 11270098

IUPACN-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
SMILESCC(=O)N([C@H]1CCCC[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-/m0/s1
InChIKeyNNCINUMREVTBQM-YUMQZZPRSA-N
MW420.35 g/mol
LogP1.43
Rot. Bonds4

About N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide

N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide (PubChem CID 11270098) has the molecular formula C10H14F6N2O5S2 and a molecular weight of 420.35 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
PubChem CID11270098
Molecular FormulaC10H14F6N2O5S2
Molecular Weight420.35 g/mol
Exact Mass420.02
IUPAC NameN-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide
SMILESCC(=O)N([C@H]1CCCC[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-/m0/s1
InChIKeyNNCINUMREVTBQM-YUMQZZPRSA-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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Related Compounds

1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide
CID 143893294
ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate
CID 19815319
1,1,1-trifluoro-N-[(1R,2S)-2-propan-2-ylcyclohexyl]methanesulfonamide
CID 176856861
N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87792256
N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene
CID 87833910
N-(trifluoromethylsulfonyl)cyclopentanecarboxamide
CID 100983151
methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
CID 113330734
N-(trifluoromethylsulfonyl)cyclooctanecarboxamide
CID 155170746
N-methyl-N-[(2S)-2-(methylamino)cyclopentyl]acetamide
CID 121478943
1,1,1-trifluoro-N-[(2R)-pyrrolidin-2-yl]methanesulfonamide
CID 134991525
N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide
CID 96554405
2-[[(1R,2S)-2-[acetyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 96554699

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide?
The IUPAC name of N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide (CID 11270098) is N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide is CC(=O)N([C@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide?
The InChIKey is NNCINUMREVTBQM-YUMQZZPRSA-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-/m0/s1.
What are the key properties of N-(trifluoromethylsulfonyl)-N-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide?
N-(trifluoromethylsulfonyl)-N-[(1S,2S)-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-[(1S,2S)-2-(trifluoromethylsulfonylamino)cyclohexyl]acetamide is sourced from PubChem (CID 11270098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).