N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide

C10H20F3N3O2S — CID 43771877

IUPACN-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O2S/c1-19(17,18)15-5-4-14-9-2-6-16(7-3-9)8-10(11,12)13/h9,14-15H,2-8H2,1H3
InChIKeyBAKVWFSWKFJOQR-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.15
Rot. Bonds6

About N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 43771877) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID43771877
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC NameN-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O2S/c1-19(17,18)15-5-4-14-9-2-6-16(7-3-9)8-10(11,12)13/h9,14-15H,2-8H2,1H3
InChIKeyBAKVWFSWKFJOQR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide (CID 43771877) is N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is BAKVWFSWKFJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-19(17,18)15-5-4-14-9-2-6-16(7-3-9)8-10(11,12)13/h9,14-15H,2-8H2,1H3.
What are the key properties of N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide 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-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43771877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).