4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine

C9H19F3N4O2S — CID 114803347

IUPAC4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
SMILESCN1CCC(CN)(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H19F3N4O2S/c1-16-4-2-8(6-13,3-5-16)15-19(17,18)14-7-9(10,11)12/h14-15H,2-7,13H2,1H3
InChIKeyDXXWOODVRZJWHS-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.60
Rot. Bonds5

About 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine

4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine (PubChem CID 114803347) has the molecular formula C9H19F3N4O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
PubChem CID114803347
Molecular FormulaC9H19F3N4O2S
Molecular Weight304.34 g/mol
Exact Mass304.12
IUPAC Name4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
SMILESCN1CCC(CN)(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H19F3N4O2S/c1-16-4-2-8(6-13,3-5-16)15-19(17,18)14-7-9(10,11)12/h14-15H,2-7,13H2,1H3
InChIKeyDXXWOODVRZJWHS-UHFFFAOYSA-N
XLogP-0.60
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
N-propan-2-yl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127770386
N-[(1-tert-butylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 142582694
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1,1-difluoromethanesulfonamide
CID 28940568
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 65535039
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65772239
4-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65785782
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65787118
4-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65787285
4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
CID 65823779
N-[3-(ethylamino)propyl]-N-methyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 65824173
N-methyl-N-[3-(methylamino)propyl]-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 65825903

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine (CID 114803347) is 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine is CN1CCC(CN)(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The InChIKey is DXXWOODVRZJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N4O2S/c1-16-4-2-8(6-13,3-5-16)15-19(17,18)14-7-9(10,11)12/h14-15H,2-7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine has a molecular weight of 304.34 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine is sourced from PubChem (CID 114803347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).