trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H21F3N2O3S — CID 94451901

IUPACtrans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)[C@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H21F3N2O3S/c14-13(15,16)11-7-3-2-6-10(11)12(19)17-22(20,21)18-8-4-1-5-9-18/h10-11H,1-9H2,(H,17,19)/t10-,11-/m0/s1
InChIKeyYAXCHNSTEQVJLO-QWRGUYRKSA-N
MW342.38 g/mol
LogP2.20
Rot. Bonds3

About trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 94451901) has the molecular formula C13H21F3N2O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID94451901
Molecular FormulaC13H21F3N2O3S
Molecular Weight342.38 g/mol
Exact Mass342.12
IUPAC Nametrans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NS(=O)(=O)N1CCCCC1)[C@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H21F3N2O3S/c14-13(15,16)11-7-3-2-6-10(11)12(19)17-22(20,21)18-8-4-1-5-9-18/h10-11H,1-9H2,(H,17,19)/t10-,11-/m0/s1
InChIKeyYAXCHNSTEQVJLO-QWRGUYRKSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71937981
(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565229
azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107845636
cis-(1S,2R)-2-(2-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
CID 95054873
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622783
(3S)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599732
(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599731
trans-(1S,2S)-N-(3,4-dimethoxyphenyl)sulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94188351
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
N-piperidin-1-ylsulfonylacetamide
CID 59405916

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 94451901) is trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NS(=O)(=O)N1CCCCC1)[C@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is YAXCHNSTEQVJLO-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21F3N2O3S/c14-13(15,16)11-7-3-2-6-10(11)12(19)17-22(20,21)18-8-4-1-5-9-18/h10-11H,1-9H2,(H,17,19)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-piperidin-1-ylsulfonyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 94451901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).