N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

C11H23F3N2O2S — CID 83068829

IUPACN-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-4-10(3,9-15)16(5-2)19(17,18)8-6-7-11(12,13)14/h4-9,15H2,1-3H3
InChIKeyPZTFNQKXWAPYSU-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.11
Rot. Bonds8

About N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068829) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068829
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C(C)(CC)CN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-4-10(3,9-15)16(5-2)19(17,18)8-6-7-11(12,13)14/h4-9,15H2,1-3H3
InChIKeyPZTFNQKXWAPYSU-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83068829) is N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is CCN(C(C)(CC)CN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is PZTFNQKXWAPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-4-10(3,9-15)16(5-2)19(17,18)8-6-7-11(12,13)14/h4-9,15H2,1-3H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).