N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H21F3N2O2S — CID 114150933

IUPACN-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(CN)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-9(8-14)4-2-6-15-18(16,17)7-3-5-10(11,12)13/h9,15H,2-8,14H2,1H3
InChIKeyOJCPZYMXYJYZBZ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.62
Rot. Bonds9

About N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 114150933) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID114150933
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(CN)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-9(8-14)4-2-6-15-18(16,17)7-3-5-10(11,12)13/h9,15H,2-8,14H2,1H3
InChIKeyOJCPZYMXYJYZBZ-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.62
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

5-amino-2,2,4,4-tetramethyl-N-(trifluoromethyl)pentane-1-sulfonamide
CID 91392136
N-(3-aminopentyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 123840797
3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
CID 137470800
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
5,5,6,6,6-pentafluoro-N-hexylhexane-2-sulfonamide
CID 142793501
2-amino-N-[(3,3-difluorocyclobutyl)methyl]ethanesulfonamide
CID 157027047
N-[6-(2,2-difluorocyclopropyl)hexyl]ethanesulfonamide
CID 178258199
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 65571558
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-amine
CID 65571559
N-(4-amino-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 80313260

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 114150933) is N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide is CC(CN)CCCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is OJCPZYMXYJYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-9(8-14)4-2-6-15-18(16,17)7-3-5-10(11,12)13/h9,15H,2-8,14H2,1H3.
What are the key properties of N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 114150933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).