N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide

C6H13F3N2O2S — CID 65193292

IUPACN-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)C(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-4(2)5(3-10)11-14(12,13)6(7,8)9/h4-5,11H,3,10H2,1-2H3
InChIKeyPJYUZIOOXVFTAL-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.41
Rot. Bonds4

About N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide

N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 65193292) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID65193292
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)C(CN)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-4(2)5(3-10)11-14(12,13)6(7,8)9/h4-5,11H,3,10H2,1-2H3
InChIKeyPJYUZIOOXVFTAL-UHFFFAOYSA-N
XLogP0.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide (CID 65193292) is N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide is CC(C)C(CN)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is PJYUZIOOXVFTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-4(2)5(3-10)11-14(12,13)6(7,8)9/h4-5,11H,3,10H2,1-2H3.
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide?
N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 234.24 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 65193292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).