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

C10H19F3N2O2S — CID 102674826

IUPACN-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-14-18(16,17)6-5-15-9-4-2-3-8(7-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3
InChIKeyASKCHTZFVUQODZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.25
Rot. Bonds5

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

N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide (PubChem CID 102674826) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
PubChem CID102674826
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-14-18(16,17)6-5-15-9-4-2-3-8(7-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3
InChIKeyASKCHTZFVUQODZ-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
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-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide (CID 102674826) is N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide is CNS(=O)(=O)CCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
The InChIKey is ASKCHTZFVUQODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-14-18(16,17)6-5-15-9-4-2-3-8(7-9)10(11,12)13/h8-9,14-15H,2-7H2,1H3.
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide?
N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanesulfonamide is sourced from PubChem (CID 102674826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).