N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide

C8H19NO3S — CID 65110441

IUPACN-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO3S/c1-5-8(4,10)6-9-13(11,12)7(2)3/h7,9-10H,5-6H2,1-4H3
InChIKeyQPSZIFWUPVOVDX-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.48
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide

N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide (PubChem CID 65110441) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
PubChem CID65110441
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO3S/c1-5-8(4,10)6-9-13(11,12)7(2)3/h7,9-10H,5-6H2,1-4H3
InChIKeyQPSZIFWUPVOVDX-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)propane-2-sulfonamide
CID 115306044
N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
CID 63902709
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66178797
N-(3-hydroxy-4,4-dimethylpentyl)propane-2-sulfonamide
CID 90523463
3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide
CID 106295329
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 65113264
1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
CID 106245470
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoate
CID 114163451
N-(2-hydroxy-2-methylpropyl)-2-[2-(propan-2-ylsulfonylamino)ethoxy]propane-2-sulfonamide
CID 139453520
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide (CID 65110441) is N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide is CCC(C)(O)CNS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide?
The InChIKey is QPSZIFWUPVOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-5-8(4,10)6-9-13(11,12)7(2)3/h7,9-10H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide?
N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 65110441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).