2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide

C11H22N2O3S — CID 24703237

IUPAC2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide
SMILESC=C(C)CN(CC)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-5-13(8-9(2)3)11(14)10(12)6-7-17(4,15)16/h10H,2,5-8,12H2,1,3-4H3
InChIKeyONIILFPZGMTNTN-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.17
Rot. Bonds7

About 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide

2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide (PubChem CID 24703237) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide
PubChem CID24703237
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide
SMILESC=C(C)CN(CC)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-5-13(8-9(2)3)11(14)10(12)6-7-17(4,15)16/h10H,2,5-8,12H2,1,3-4H3
InChIKeyONIILFPZGMTNTN-UHFFFAOYSA-N
XLogP0.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide (CID 24703237) is 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide is C=C(C)CN(CC)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide?
The InChIKey is ONIILFPZGMTNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-5-13(8-9(2)3)11(14)10(12)6-7-17(4,15)16/h10H,2,5-8,12H2,1,3-4H3.
What are the key properties of 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide?
2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide has a molecular weight of 262.37 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 24703237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).