N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide

C15H17F17N2O2S — CID 138394384

IUPACN-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F17N2O2S/c1-34(2)6-3-5-33-37(35,36)7-4-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h33H,3-7H2,1-2H3
InChIKeyZTTYKAVGBUSOLX-UHFFFAOYSA-N
MW612.35 g/mol
LogP5.26
Rot. Bonds14

About N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide

N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide (PubChem CID 138394384) has the molecular formula C15H17F17N2O2S and a molecular weight of 612.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide
PubChem CID138394384
Molecular FormulaC15H17F17N2O2S
Molecular Weight612.35 g/mol
Exact Mass612.07
IUPAC NameN-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H17F17N2O2S/c1-34(2)6-3-5-33-37(35,36)7-4-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h33H,3-7H2,1-2H3
InChIKeyZTTYKAVGBUSOLX-UHFFFAOYSA-N
XLogP5.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.35
LogP ≤ 55.26
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'}

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Related Compounds

1-Octanesulfonamide, N-(3-(dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-
CID 83421
N-(3-(Dimethylamino)propyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octane-1-sulfonamide
CID 89927646
(3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium iodide
CID 84096
1-Heptanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 105446
1-Pentanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-
CID 110559
1-Hexanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
CID 111913
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonylamino)propyl-trimethylazanium
CID 84097
1-Octanesulfonamide, N-3-(dimethyloxidoamino)propyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-
CID 138394285
1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]-, iodide (1:1)
CID 105450
1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)-, iodide (1:1)
CID 106195
1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, iodide (1:1)
CID 111909
Sodium 3-(methyl(3-(((tridecafluorohexyl)sulphonyl)amino)propyl)amino)propanesulphonate
CID 23662461

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide (CID 138394384) is N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide is CN(C)CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide?
The InChIKey is ZTTYKAVGBUSOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F17N2O2S/c1-34(2)6-3-5-33-37(35,36)7-4-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h33H,3-7H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide?
N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide has a molecular weight of 612.35 g/mol, XLogP of 5.26, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonamide is sourced from PubChem (CID 138394384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).