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

C11H23NO4S — CID 65112284

IUPACN-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCCC(O)(CC)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-6-11(14,7-2)8-12-9(13)10(3,4)17(5,15)16/h14H,6-8H2,1-5H3,(H,12,13)
InChIKeyACDALBSSRPZHDM-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.48
Rot. Bonds6

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

N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 65112284) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID65112284
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCCC(O)(CC)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-6-11(14,7-2)8-12-9(13)10(3,4)17(5,15)16/h14H,6-8H2,1-5H3,(H,12,13)
InChIKeyACDALBSSRPZHDM-UHFFFAOYSA-N
XLogP0.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropylsulfonyl-N-(2-hydroxy-2,3-dimethylpentyl)-2-methylpropanamide
CID 121527055
N-[(4-hydroxy-1,1-dioxothian-4-yl)methyl]acetamide
CID 123642639
N-[(1-hydroxycyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 64195676
N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfonylacetamide
CID 64196014
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfonylbutanamide
CID 65106132
N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 65109700
N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 65110398
N-(2-ethyl-2-hydroxybutyl)-2-methylsulfanylacetamide
CID 65112202
N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide
CID 65112285
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 65112371
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112545
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 65113561

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide (CID 65112284) is N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide is CCC(O)(CC)CNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is ACDALBSSRPZHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-6-11(14,7-2)8-12-9(13)10(3,4)17(5,15)16/h14H,6-8H2,1-5H3,(H,12,13).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide?
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 265.37 g/mol, XLogP of 0.48, 6 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)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 65112284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).