2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C12H23F3N4O3S — CID 120811901

IUPAC2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N4O3S/c1-11(2,18-23(3,21)22)10(20)17-8-9(12(13,14)15)19-6-4-16-5-7-19/h9,16,18H,4-8H2,1-3H3,(H,17,20)
InChIKeyANNMGWYZVHBQHL-UHFFFAOYSA-N
MW360.40 g/mol
LogP-0.73
Rot. Bonds6

About 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120811901) has the molecular formula C12H23F3N4O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120811901
Molecular FormulaC12H23F3N4O3S
Molecular Weight360.40 g/mol
Exact Mass360.14
IUPAC Name2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESCC(C)(NS(C)(=O)=O)C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N4O3S/c1-11(2,18-23(3,21)22)10(20)17-8-9(12(13,14)15)19-6-4-16-5-7-19/h9,16,18H,4-8H2,1-3H3,(H,17,20)
InChIKeyANNMGWYZVHBQHL-UHFFFAOYSA-N
XLogP-0.73
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120811901) is 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is CC(C)(NS(C)(=O)=O)C(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is ANNMGWYZVHBQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O3S/c1-11(2,18-23(3,21)22)10(20)17-8-9(12(13,14)15)19-6-4-16-5-7-19/h9,16,18H,4-8H2,1-3H3,(H,17,20).
What are the key properties of 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 360.40 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120811901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).