N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

C8H13F7N2O2S — CID 139596046

IUPACN-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F7N2O2S/c1-17(2)5-3-4-16-20(18,19)8(14,15)6(9,10)7(11,12)13/h16H,3-5H2,1-2H3
InChIKeyMHWKVXOZNXDWGM-UHFFFAOYSA-N
MW334.26 g/mol
LogP1.65
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide

N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (PubChem CID 139596046) has the molecular formula C8H13F7N2O2S and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
PubChem CID139596046
Molecular FormulaC8H13F7N2O2S
Molecular Weight334.26 g/mol
Exact Mass334.06
IUPAC NameN-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F7N2O2S/c1-17(2)5-3-4-16-20(18,19)8(14,15)6(9,10)7(11,12)13/h16H,3-5H2,1-2H3
InChIKeyMHWKVXOZNXDWGM-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide 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-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide (CID 139596046) is N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
The InChIKey is MHWKVXOZNXDWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F7N2O2S/c1-17(2)5-3-4-16-20(18,19)8(14,15)6(9,10)7(11,12)13/h16H,3-5H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide?
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide has a molecular weight of 334.26 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide is sourced from PubChem (CID 139596046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).