2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

C9H17F3N2O3S — CID 55009324

IUPAC2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H17F3N2O3S/c1-3-14(6-9(10,11)12)8(15)7(13)4-5-18(2,16)17/h7H,3-6,13H2,1-2H3
InChIKeyVPCGYDLOBUOOTP-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.16
Rot. Bonds6

About 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 55009324) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID55009324
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H17F3N2O3S/c1-3-14(6-9(10,11)12)8(15)7(13)4-5-18(2,16)17/h7H,3-6,13H2,1-2H3
InChIKeyVPCGYDLOBUOOTP-UHFFFAOYSA-N
XLogP0.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 170770283
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 174246046
(2S)-2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 174251795
2-amino-4-methanesulfonyl-N,N-dimethylbutanamide hydrobromide
CID 42948602
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
(3S)-3-ethyl-4-(3-propan-2-ylsulfonylpropyl)piperazin-2-one
CID 164629712
2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24692832
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
N-(4,4-difluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide hydrochloride
CID 118073717
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718
N-(4,4-difluoropyrrolidin-3-yl)-3-ethylsulfonylpropanamide
CID 118102575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (CID 55009324) is 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is CCN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is VPCGYDLOBUOOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c1-3-14(6-9(10,11)12)8(15)7(13)4-5-18(2,16)17/h7H,3-6,13H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 290.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 55009324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).