2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

C12H21F3N2O3S — CID 60939611

IUPAC2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C12H21F3N2O3S/c1-8(9-3-4-9)17(7-12(13,14)15)11(18)10(16)5-6-21(2,19)20/h8-10H,3-7,16H2,1-2H3
InChIKeyFJUMKSYEEZXLRD-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.94
Rot. Bonds7

About 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60939611) has the molecular formula C12H21F3N2O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60939611
Molecular FormulaC12H21F3N2O3S
Molecular Weight330.37 g/mol
Exact Mass330.12
IUPAC Name2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C12H21F3N2O3S/c1-8(9-3-4-9)17(7-12(13,14)15)11(18)10(16)5-6-21(2,19)20/h8-10H,3-7,16H2,1-2H3
InChIKeyFJUMKSYEEZXLRD-UHFFFAOYSA-N
XLogP0.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (CID 60939611) is 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is FJUMKSYEEZXLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3S/c1-8(9-3-4-9)17(7-12(13,14)15)11(18)10(16)5-6-21(2,19)20/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 330.37 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60939611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).