N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide

C8H17F3N2O2S — CID 64553354

IUPACN-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCC(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C8H17F3N2O2S/c1-7(2,13-16(3,14)15)6-12-5-4-8(9,10)11/h12-13H,4-6H2,1-3H3
InChIKeySMIGBMIRBFFGDH-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.86
Rot. Bonds6

About N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide (PubChem CID 64553354) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide
PubChem CID64553354
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC NameN-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCC(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C8H17F3N2O2S/c1-7(2,13-16(3,14)15)6-12-5-4-8(9,10)11/h12-13H,4-6H2,1-3H3
InChIKeySMIGBMIRBFFGDH-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide 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-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide (CID 64553354) is N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide is CC(C)(CNCCC(F)(F)F)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide?
The InChIKey is SMIGBMIRBFFGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-7(2,13-16(3,14)15)6-12-5-4-8(9,10)11/h12-13H,4-6H2,1-3H3.
What are the key properties of N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide has a molecular weight of 262.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3,3,3-trifluoropropylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 64553354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).