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

C11H21F3N2O3S — CID 60947772

IUPAC2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H21F3N2O3S/c1-8(2)6-16(7-11(12,13)14)10(17)9(15)4-5-20(3,18)19/h8-9H,4-7,15H2,1-3H3
InChIKeyOIWVSOJPZQELGF-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.80
Rot. Bonds7

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

2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60947772) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60947772
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H21F3N2O3S/c1-8(2)6-16(7-11(12,13)14)10(17)9(15)4-5-20(3,18)19/h8-9H,4-7,15H2,1-3H3
InChIKeyOIWVSOJPZQELGF-UHFFFAOYSA-N
XLogP0.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide (CID 60947772) is 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)CN(CC(F)(F)F)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is OIWVSOJPZQELGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c1-8(2)6-16(7-11(12,13)14)10(17)9(15)4-5-20(3,18)19/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 318.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60947772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).