N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide

C10H20F3N3O2S — CID 102676142

IUPACN-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O2S/c1-14-19(17,18)7-4-15-9-2-5-16(6-3-9)8-10(11,12)13/h9,14-15H,2-8H2,1H3
InChIKeyXWKRFPKCBFYGOA-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.15
Rot. Bonds6

About N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide

N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide (PubChem CID 102676142) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
PubChem CID102676142
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC NameN-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O2S/c1-14-19(17,18)7-4-15-9-2-5-16(6-3-9)8-10(11,12)13/h9,14-15H,2-8H2,1H3
InChIKeyXWKRFPKCBFYGOA-UHFFFAOYSA-N
XLogP0.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]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

N,N-dimethyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide
CID 106335729
N-(3-methylsulfinylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115901511
N'-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]butane-1,4-diamine
CID 60894007
N'-cyclopropyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethane-1,2-diamine
CID 62975551
methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
CID 106333768
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
CID 61218639

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide (CID 102676142) is N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide is CNS(=O)(=O)CCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide?
The InChIKey is XWKRFPKCBFYGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-14-19(17,18)7-4-15-9-2-5-16(6-3-9)8-10(11,12)13/h9,14-15H,2-8H2,1H3.
What are the key properties of N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide?
N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 102676142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).