1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide

C12H21F3N2O2S — CID 53376311

IUPAC1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCC[C@@H]1N1CCCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2S/c13-12(14,15)20(18,19)16-9-10-5-1-2-6-11(10)17-7-3-4-8-17/h10-11,16H,1-9H2/t10-,11-/m0/s1
InChIKeyQCELSSDFMXSLBW-QWRGUYRKSA-N
MW314.37 g/mol
LogP2.08
Rot. Bonds4

About 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide

1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide (PubChem CID 53376311) has the molecular formula C12H21F3N2O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide
PubChem CID53376311
Molecular FormulaC12H21F3N2O2S
Molecular Weight314.37 g/mol
Exact Mass314.13
IUPAC Name1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCC[C@@H]1N1CCCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2S/c13-12(14,15)20(18,19)16-9-10-5-1-2-6-11(10)17-7-3-4-8-17/h10-11,16H,1-9H2/t10-,11-/m0/s1
InChIKeyQCELSSDFMXSLBW-QWRGUYRKSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide with MolForge

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Related Compounds

1,1,1-trifluoro-N-[2-[[(3R)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 166150629
1,1,1-trifluoro-N-[2-[[(3S)-pyrrolidin-3-yl]methyl]-2-azaspiro[3.5]nonan-7-yl]methanesulfonamide
CID 175831597
N-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 53376205
1-(Difluoromethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
CID 54885427
4-[1-(Difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 54885516
3-Pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 54885571
3-[1-(Difluoromethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 54885949
4-Pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 63259120
1-(Difluoromethylsulfonyl)-4-pyrrolidin-2-ylpiperidine
CID 63259212
N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
CID 64754674
N-ethyl-N-[3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
CID 64757791
N-ethyl-N-[3-[[2-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
CID 64759104

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide (CID 53376311) is 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide is O=S(=O)(NC[C@@H]1CCCC[C@@H]1N1CCCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide?
The InChIKey is QCELSSDFMXSLBW-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21F3N2O2S/c13-12(14,15)20(18,19)16-9-10-5-1-2-6-11(10)17-7-3-4-8-17/h10-11,16H,1-9H2/t10-,11-/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide?
1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 53376311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).