N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride

C14H27ClF3N3O3S — CID 119785685

IUPACN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C14H26F3N3O3S.ClH/c1-4-7-13(2,18)12(21)19-8-5-11(6-9-19)20(24(3,22)23)10-14(15,16)17;/h11H,4-10,18H2,1-3H3;1H
InChIKeyFDMMXGPXEVSQPR-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.74
Rot. Bonds6

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

N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (PubChem CID 119785685) has the molecular formula C14H27ClF3N3O3S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
PubChem CID119785685
Molecular FormulaC14H27ClF3N3O3S
Molecular Weight409.90 g/mol
Exact Mass409.14
IUPAC NameN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1.Cl
InChIInChI=1S/C14H26F3N3O3S.ClH/c1-4-7-13(2,18)12(21)19-8-5-11(6-9-19)20(24(3,22)23)10-14(15,16)17;/h11H,4-10,18H2,1-3H3;1H
InChIKeyFDMMXGPXEVSQPR-UHFFFAOYSA-N
XLogP1.74
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (CID 119785685) is N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is CCCC(C)(N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1.Cl.
What is the InChIKey of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The InChIKey is FDMMXGPXEVSQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O3S.ClH/c1-4-7-13(2,18)12(21)19-8-5-11(6-9-19)20(24(3,22)23)10-14(15,16)17;/h11H,4-10,18H2,1-3H3;1H.
What are the key properties of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride has a molecular weight of 409.90 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119785685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).