N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide

C11H23F3N2O2S — CID 83058118

IUPACN-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-3-10(4-2)16(8-7-15)19(17,18)9-5-6-11(12,13)14/h10H,3-9,15H2,1-2H3
InChIKeyGOKHZXDIOBIHAK-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.11
Rot. Bonds9

About N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide

N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide (PubChem CID 83058118) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide
PubChem CID83058118
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-3-10(4-2)16(8-7-15)19(17,18)9-5-6-11(12,13)14/h10H,3-9,15H2,1-2H3
InChIKeyGOKHZXDIOBIHAK-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide (CID 83058118) is N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide is CCC(CC)N(CCN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide?
The InChIKey is GOKHZXDIOBIHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-3-10(4-2)16(8-7-15)19(17,18)9-5-6-11(12,13)14/h10H,3-9,15H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide?
N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,4,4-trifluoro-N-pentan-3-ylbutane-1-sulfonamide is sourced from PubChem (CID 83058118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).