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

C11H23F3N2O2S — CID 83059109

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-9(2)7-10(3,8-15)16-19(17,18)6-4-5-11(12,13)14/h9,16H,4-8,15H2,1-3H3
InChIKeyWGRWWXZCYVFVRH-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.01
Rot. Bonds8

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

N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059109) has the molecular formula C11H23F3N2O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059109
Molecular FormulaC11H23F3N2O2S
Molecular Weight304.38 g/mol
Exact Mass304.14
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2O2S/c1-9(2)7-10(3,8-15)16-19(17,18)6-4-5-11(12,13)14/h9,16H,4-8,15H2,1-3H3
InChIKeyWGRWWXZCYVFVRH-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059109) is N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is WGRWWXZCYVFVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O2S/c1-9(2)7-10(3,8-15)16-19(17,18)6-4-5-11(12,13)14/h9,16H,4-8,15H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).