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

C9H19F3N2O2S — CID 83067940

IUPACN-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-3-8(2,7-13)14-17(15,16)6-4-5-9(10,11)12/h14H,3-7,13H2,1-2H3
InChIKeyFPGHDJVRMSECRG-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.38
Rot. Bonds7

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

N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067940) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067940
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-3-8(2,7-13)14-17(15,16)6-4-5-9(10,11)12/h14H,3-7,13H2,1-2H3
InChIKeyFPGHDJVRMSECRG-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.38
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-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83067940) is N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(C)(CN)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is FPGHDJVRMSECRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-3-8(2,7-13)14-17(15,16)6-4-5-9(10,11)12/h14H,3-7,13H2,1-2H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).