N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide

C10H21NO4S — CID 65113821

IUPACN-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide
SMILESCCC(O)(CC)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-4-10(13,5-2)8-11-9(12)6-7-16(3,14)15/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyYUXGBPBXJNWQPW-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.09
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide

N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide (PubChem CID 65113821) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide
PubChem CID65113821
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide
SMILESCCC(O)(CC)CNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-4-10(13,5-2)8-11-9(12)6-7-16(3,14)15/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyYUXGBPBXJNWQPW-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide (CID 65113821) is N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide is CCC(O)(CC)CNC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide?
The InChIKey is YUXGBPBXJNWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-4-10(13,5-2)8-11-9(12)6-7-16(3,14)15/h13H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide?
N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide has a molecular weight of 251.35 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 65113821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).