N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide

C11H21F3N2O2S — CID 106335188

IUPACN,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-16(2)19(17,18)7-6-15-10-5-3-4-9(8-10)11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyFJSFLPDBYOMWQU-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.59
Rot. Bonds5

About N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide

N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide (PubChem CID 106335188) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
PubChem CID106335188
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-16(2)19(17,18)7-6-15-10-5-3-4-9(8-10)11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyFJSFLPDBYOMWQU-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclohexylmethylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691985
3-(Cyclohexylmethylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58692053
(2R)-2-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid
CID 69634646
(2S)-2-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid
CID 69634657
1-(1-aminocyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 71057841
1-(1-aminocyclohexyl)-N-(2,2-difluoropropyl)-N-methylmethanesulfonamide
CID 71057852
(2S)-2-(cyclohexylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 87925510
(2R)-2-(cyclohexylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 87925518
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[[(2S,3R,5S)-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343599
N-[(4,4-difluoro-2-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343667
N-((4,4-Difluoro-2,5-dimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343963

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide (CID 106335188) is N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide is CN(C)S(=O)(=O)CCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The InChIKey is FJSFLPDBYOMWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-16(2)19(17,18)7-6-15-10-5-3-4-9(8-10)11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide is sourced from PubChem (CID 106335188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).