2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide

C11H24N2O4S — CID 65106132

IUPAC2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide
SMILESCCC(O)(CC)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-11(15,5-2)8-13-10(14)9(12)6-7-18(3,16)17/h9,15H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyAJXRAWKUSMXBPG-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.58
Rot. Bonds8

About 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide

2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide (PubChem CID 65106132) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide
PubChem CID65106132
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide
SMILESCCC(O)(CC)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-11(15,5-2)8-13-10(14)9(12)6-7-18(3,16)17/h9,15H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyAJXRAWKUSMXBPG-UHFFFAOYSA-N
XLogP-0.58
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide (CID 65106132) is 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide is CCC(O)(CC)CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide?
The InChIKey is AJXRAWKUSMXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-11(15,5-2)8-13-10(14)9(12)6-7-18(3,16)17/h9,15H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide has a molecular weight of 280.39 g/mol, XLogP of -0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 65106132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).