N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide

C8H17F3N2O2S — CID 89050452

IUPACN-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(C[C@@H](N)C(C)(C)C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-7(2,3)6(12)5-13(4)16(14,15)8(9,10)11/h6H,5,12H2,1-4H3/t6-/m1/s1
InChIKeyIMIKLQJNFVBEPO-ZCFIWIBFSA-N
MW262.30 g/mol
LogP1.14
Rot. Bonds3

About N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide

N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide (PubChem CID 89050452) has the molecular formula C8H17F3N2O2S and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
PubChem CID89050452
Molecular FormulaC8H17F3N2O2S
Molecular Weight262.30 g/mol
Exact Mass262.10
IUPAC NameN-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide
SMILESCN(C[C@@H](N)C(C)(C)C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3N2O2S/c1-7(2,3)6(12)5-13(4)16(14,15)8(9,10)11/h6H,5,12H2,1-4H3/t6-/m1/s1
InChIKeyIMIKLQJNFVBEPO-ZCFIWIBFSA-N
XLogP1.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide (CID 89050452) is N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide is CN(C[C@@H](N)C(C)(C)C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide?
The InChIKey is IMIKLQJNFVBEPO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H17F3N2O2S/c1-7(2,3)6(12)5-13(4)16(14,15)8(9,10)11/h6H,5,12H2,1-4H3/t6-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide?
N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide has a molecular weight of 262.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3,3-dimethylbutyl]-1,1,1-trifluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 89050452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).