N-hydroxy-2-methyl-2-methylsulfonylpentanamide

C7H15NO4S — CID 155407178

IUPACN-hydroxy-2-methyl-2-methylsulfonylpentanamide
SMILESCCCC(C)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-4-5-7(2,6(9)8-10)13(3,11)12/h10H,4-5H2,1-3H3,(H,8,9)
InChIKeyZGLRCXTZPMMRNQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.10
Rot. Bonds4

About N-hydroxy-2-methyl-2-methylsulfonylpentanamide

N-hydroxy-2-methyl-2-methylsulfonylpentanamide (PubChem CID 155407178) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonylpentanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonylpentanamide
PubChem CID155407178
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonylpentanamide
SMILESCCCC(C)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-4-5-7(2,6(9)8-10)13(3,11)12/h10H,4-5H2,1-3H3,(H,8,9)
InChIKeyZGLRCXTZPMMRNQ-UHFFFAOYSA-N
XLogP0.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2,2-dimethylpentanamide;hydrochloride
CID 140997012
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
4-[4-[(2-ethylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663429
4-[5-[(E)-but-1-enyl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 121392908
(2R)-4-[5-[(E)-but-2-en-2-yl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;(2R)-4-[5-[(Z)-but-2-en-2-yl]-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 161093590
N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide
CID 66558303
4-[4-(cyclohepten-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 86668776
2-methyl-2-methylsulfonylpentane
CID 58153427
4-[4-(2,3-dichlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684268
N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
CID 71462277
(2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66558121
4-[butyl-[7-(dimethylamino)-2-ethenyl-2-methylhepta-3,5-diynyl]amino]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 134394985

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonylpentanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonylpentanamide (CID 155407178) is N-hydroxy-2-methyl-2-methylsulfonylpentanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonylpentanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonylpentanamide is CCCC(C)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonylpentanamide?
The InChIKey is ZGLRCXTZPMMRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-4-5-7(2,6(9)8-10)13(3,11)12/h10H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonylpentanamide?
N-hydroxy-2-methyl-2-methylsulfonylpentanamide has a molecular weight of 209.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonylpentanamide is sourced from PubChem (CID 155407178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).