N-hydroxy-3-methylpentane-3-sulfonamide

C6H15NO3S — CID 118182289

IUPACN-hydroxy-3-methylpentane-3-sulfonamide
SMILESCCC(C)(CC)S(=O)(=O)NO
InChIInChI=1S/C6H15NO3S/c1-4-6(3,5-2)11(9,10)7-8/h7-8H,4-5H2,1-3H3
InChIKeyQTBXGQONWUFLRV-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.87
Rot. Bonds4

About N-hydroxy-3-methylpentane-3-sulfonamide

N-hydroxy-3-methylpentane-3-sulfonamide (PubChem CID 118182289) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-hydroxy-3-methylpentane-3-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-3-methylpentane-3-sulfonamide
PubChem CID118182289
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-hydroxy-3-methylpentane-3-sulfonamide
SMILESCCC(C)(CC)S(=O)(=O)NO
InChIInChI=1S/C6H15NO3S/c1-4-6(3,5-2)11(9,10)7-8/h7-8H,4-5H2,1-3H3
InChIKeyQTBXGQONWUFLRV-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethylpentane-3-sulfonamide
CID 148773695
3-methyl-3-(trifluoromethylsulfonyl)pentane
CID 88539345
2-ethyl-2-methylpropane-1,3-diol;methanesulfonic acid
CID 71389262
3-methyl-3-(3-methylpentan-3-ylsulfonylmethyl)pentane
CID 126735687
2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
CID 174426895
3-methylhexane-3-sulfonamide
CID 57466986
1-amino-2-methylbutan-2-ol;methanesulfonic acid
CID 20512871
N-(2-methylbutan-2-yl)sulfamoyl chloride
CID 20641442
2-aminobutan-2-ol;azane;sulfuric acid
CID 174805988
N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide
CID 90912057
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
CID 64555453
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methylpentane-3-sulfonamide?
The IUPAC name of N-hydroxy-3-methylpentane-3-sulfonamide (CID 118182289) is N-hydroxy-3-methylpentane-3-sulfonamide.
What is the SMILES notation for N-hydroxy-3-methylpentane-3-sulfonamide?
The canonical SMILES for N-hydroxy-3-methylpentane-3-sulfonamide is CCC(C)(CC)S(=O)(=O)NO.
What is the InChIKey of N-hydroxy-3-methylpentane-3-sulfonamide?
The InChIKey is QTBXGQONWUFLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-4-6(3,5-2)11(9,10)7-8/h7-8H,4-5H2,1-3H3.
What are the key properties of N-hydroxy-3-methylpentane-3-sulfonamide?
N-hydroxy-3-methylpentane-3-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methylpentane-3-sulfonamide is sourced from PubChem (CID 118182289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).