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

C11H21F3N2O2S — CID 102609624

IUPACN-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-2-16-19(17,18)7-6-15-10-5-3-4-9(8-10)11(12,13)14/h9-10,15-16H,2-8H2,1H3
InChIKeyNHZPNOWBBHHGMK-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.64
Rot. Bonds6

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

N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide (PubChem CID 102609624) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
PubChem CID102609624
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O2S/c1-2-16-19(17,18)7-6-15-10-5-3-4-9(8-10)11(12,13)14/h9-10,15-16H,2-8H2,1H3
InChIKeyNHZPNOWBBHHGMK-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide (CID 102609624) is N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide is CCNS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The InChIKey is NHZPNOWBBHHGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-2-16-19(17,18)7-6-15-10-5-3-4-9(8-10)11(12,13)14/h9-10,15-16H,2-8H2,1H3.
What are the key properties of N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide is sourced from PubChem (CID 102609624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).