2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide

C9H18F3N3O3S — CID 106336369

IUPAC2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCCNS(C)(=O)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O3S/c1-7(8(16)14-6-9(10,11)12)13-4-3-5-15-19(2,17)18/h7,13,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyHZMSXIPNRKBPPD-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.42
Rot. Bonds8

About 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106336369) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106336369
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC Name2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCCNS(C)(=O)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O3S/c1-7(8(16)14-6-9(10,11)12)13-4-3-5-15-19(2,17)18/h7,13,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyHZMSXIPNRKBPPD-UHFFFAOYSA-N
XLogP-0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide 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 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106336369) is 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCCNS(C)(=O)=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HZMSXIPNRKBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c1-7(8(16)14-6-9(10,11)12)13-4-3-5-15-19(2,17)18/h7,13,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 305.32 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106336369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).