N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide

C10H21NO4S — CID 65114360

IUPACN-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCCC(C)(O)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-6-10(4,13)7-11-8(12)9(2,3)16(5,14)15/h13H,6-7H2,1-5H3,(H,11,12)
InChIKeyXAEGRFBUPRHPJU-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.09
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide

N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 65114360) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID65114360
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCCC(C)(O)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-6-10(4,13)7-11-8(12)9(2,3)16(5,14)15/h13H,6-7H2,1-5H3,(H,11,12)
InChIKeyXAEGRFBUPRHPJU-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

N-(2-hydroxy-2-methyl-4-(methylthio)butyl)pivalamide
CID 71787258
N-(2-hydroxypropyl)-2-methyl-2-methylsulfonylpropanamide
CID 64018139
N-[(1-hydroxycyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 64195676
2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 65106179
N-(2-hydroxy-2-methylpropyl)-3-methylsulfonylpropanamide
CID 65109700
N-(2-hydroxy-2-methylpropyl)-1,1-dioxothiolane-3-carboxamide
CID 65109822
N-(2-hydroxy-2-methylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 65110398
N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
CID 65110399
N-(2-ethyl-2-hydroxybutyl)-2-methyl-2-methylsulfonylpropanamide
CID 65112284
N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide
CID 65112285
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 65112371
N-(2-ethyl-2-hydroxybutyl)-1,1-dioxothiolane-3-carboxamide
CID 65113596

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide (CID 65114360) is N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide is CCC(C)(O)CNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is XAEGRFBUPRHPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-6-10(4,13)7-11-8(12)9(2,3)16(5,14)15/h13H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide?
N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 251.35 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 65114360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).