N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H19F3N2O2S — CID 106125756

IUPACN-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(N)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-8(13)4-2-6-14-17(15,16)7-3-5-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyYDDJGTORIKOVGX-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.38
Rot. Bonds8

About N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106125756) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106125756
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC NameN-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(N)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-8(13)4-2-6-14-17(15,16)7-3-5-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyYDDJGTORIKOVGX-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
N-(4-aminopentyl)butane-1-sulfonamide
CID 106125942
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide
CID 106125800
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 83059566
4,4,4-trifluoro-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide
CID 83068022

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106125756) is N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide is CC(N)CCCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is YDDJGTORIKOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-8(13)4-2-6-14-17(15,16)7-3-5-9(10,11)12/h8,14H,2-7,13H2,1H3.
What are the key properties of N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106125756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).