N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide

C10H21F3N2O2S — CID 10913273

IUPACN-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)[C@@H](CNC(C)(C)C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-7(2)8(6-14-9(3,4)5)15-18(16,17)10(11,12)13/h7-8,14-15H,6H2,1-5H3/t8-/m1/s1
InChIKeyQWZKVZTZTYJZKW-MRVPVSSYSA-N
MW290.35 g/mol
LogP1.84
Rot. Bonds5

About N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide

N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 10913273) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID10913273
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)[C@@H](CNC(C)(C)C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-7(2)8(6-14-9(3,4)5)15-18(16,17)10(11,12)13/h7-8,14-15H,6H2,1-5H3/t8-/m1/s1
InChIKeyQWZKVZTZTYJZKW-MRVPVSSYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide (CID 10913273) is N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide is CC(C)[C@@H](CNC(C)(C)C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is QWZKVZTZTYJZKW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-7(2)8(6-14-9(3,4)5)15-18(16,17)10(11,12)13/h7-8,14-15H,6H2,1-5H3/t8-/m1/s1.
What are the key properties of N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide?
N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(tert-butylamino)-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 10913273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).