N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide

C9H19F3N2O2S — CID 162603082

IUPACN-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-14(2)7-4-6-13-17(15,16)8-3-5-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyZOBAXUFSVWCNIH-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.20
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 162603082) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID162603082
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC NameN-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-14(2)7-4-6-13-17(15,16)8-3-5-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyZOBAXUFSVWCNIH-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 162603082) is N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide is CN(C)CCCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ZOBAXUFSVWCNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-14(2)7-4-6-13-17(15,16)8-3-5-9(10,11)12/h13H,3-8H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 162603082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).