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

C14H26F3N3O3S — CID 119785686

IUPACN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCCC(C)(N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1
InChIInChI=1S/C14H26F3N3O3S/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
InChIKeyPESVRHMQWZUNIP-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.32
Rot. Bonds6

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

N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 119785686) has the molecular formula C14H26F3N3O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID119785686
Molecular FormulaC14H26F3N3O3S
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC NameN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCCC(C)(N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1
InChIInChI=1S/C14H26F3N3O3S/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
InChIKeyPESVRHMQWZUNIP-UHFFFAOYSA-N
XLogP1.32
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 56789010
2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 60940159
2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 60963266
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119324803
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119785687
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785672
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785684
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119931699

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 119785686) is N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is CCCC(C)(N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is PESVRHMQWZUNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O3S/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.
What are the key properties of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.32, 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 is sourced from PubChem (CID 119785686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).