N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

C8H17F3N2O2S — CID 83060158

IUPACN-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCC(N)CN(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-7(12)6-13(2)16(14,15)5-3-4-8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyRBXHWOFFWQGKKM-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.94
Rot. Bonds6

About N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (PubChem CID 83060158) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
PubChem CID83060158
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC NameN-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCC(N)CN(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-7(12)6-13(2)16(14,15)5-3-4-8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyRBXHWOFFWQGKKM-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (CID 83060158) is N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is CC(N)CN(C)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The InChIKey is RBXHWOFFWQGKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-7(12)6-13(2)16(14,15)5-3-4-8(9,10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide has a molecular weight of 262.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83060158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).