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

C7H13F3N2O3S — CID 24692832

IUPAC2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-5(11)6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyAOXKVJLRCBEKDQ-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.57
Rot. Bonds5

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

2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 24692832) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID24692832
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-5(11)6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyAOXKVJLRCBEKDQ-UHFFFAOYSA-N
XLogP-0.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
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
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76892736
(2R)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 104906864
N-((3R,4R)-4-fluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide
CID 118073579
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 118073581
N-(4,4-difluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide hydrochloride
CID 118073717
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (CID 24692832) is 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is CS(=O)(=O)CCC(N)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is AOXKVJLRCBEKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-5(11)6(13)12-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 262.25 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 24692832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).