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

C10H17F3N2O3S — CID 55009227

IUPAC2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O3S/c1-19(17,18)5-4-8(14)9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyKPJAUXQFIWCEIY-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.30
Rot. Bonds6

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

2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 55009227) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID55009227
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC Name2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H17F3N2O3S/c1-19(17,18)5-4-8(14)9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyKPJAUXQFIWCEIY-UHFFFAOYSA-N
XLogP0.30
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (CID 55009227) is 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is CS(=O)(=O)CCC(N)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is KPJAUXQFIWCEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-19(17,18)5-4-8(14)9(16)15(7-2-3-7)6-10(11,12)13/h7-8H,2-6,14H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 302.32 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 55009227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).