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

C8H16F3N3O2S — CID 106995784

IUPAC2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
SMILESCC1CC(NS(=O)(=O)NCC(F)(F)F)CCN1
InChIInChI=1S/C8H16F3N3O2S/c1-6-4-7(2-3-12-6)14-17(15,16)13-5-8(9,10)11/h6-7,12-14H,2-5H2,1H3
InChIKeyNHVOCZNJTAZPCM-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.11
Rot. Bonds4

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

2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine (PubChem CID 106995784) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
PubChem CID106995784
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine
SMILESCC1CC(NS(=O)(=O)NCC(F)(F)F)CCN1
InChIInChI=1S/C8H16F3N3O2S/c1-6-4-7(2-3-12-6)14-17(15,16)13-5-8(9,10)11/h6-7,12-14H,2-5H2,1H3
InChIKeyNHVOCZNJTAZPCM-UHFFFAOYSA-N
XLogP0.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine (CID 106995784) is 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine is CC1CC(NS(=O)(=O)NCC(F)(F)F)CCN1.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
The InChIKey is NHVOCZNJTAZPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c1-6-4-7(2-3-12-6)14-17(15,16)13-5-8(9,10)11/h6-7,12-14H,2-5H2,1H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine?
2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine has a molecular weight of 275.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)piperidin-4-amine is sourced from PubChem (CID 106995784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).