2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

C8H16F3N3O3S — CID 106337201

IUPAC2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-7(12,8(9,10)11)6(15)13-4-5-18(16,17)14(2)3/h4-5,12H2,1-3H3,(H,13,15)
InChIKeyYDUQKTPMTUJWLI-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.73
Rot. Bonds5

About 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 106337201) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID106337201
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC Name2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H16F3N3O3S/c1-7(12,8(9,10)11)6(15)13-4-5-18(16,17)14(2)3/h4-5,12H2,1-3H3,(H,13,15)
InChIKeyYDUQKTPMTUJWLI-UHFFFAOYSA-N
XLogP-0.73
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (CID 106337201) is 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is CN(C)S(=O)(=O)CCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is YDUQKTPMTUJWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c1-7(12,8(9,10)11)6(15)13-4-5-18(16,17)14(2)3/h4-5,12H2,1-3H3,(H,13,15).
What are the key properties of 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 291.30 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 106337201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).