N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide

C11H25NO4S — CID 106169938

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H25NO4S/c1-5-11(4,6-7-13)12-17(14,15)9-8-16-10(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyLQTUISKCAIEZKW-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.88
Rot. Bonds9

About N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 106169938) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
PubChem CID106169938
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C11H25NO4S/c1-5-11(4,6-7-13)12-17(14,15)9-8-16-10(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyLQTUISKCAIEZKW-UHFFFAOYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
CID 106169682
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate
CID 106169758
3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594198
2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594884
N-(2-cyanopropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79594289
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
3,3,3-trifluoro-2-methyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79792891
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 103918606
N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 104981847
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
3-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106169596

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide (CID 106169938) is N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide is CCC(C)(CCO)NS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is LQTUISKCAIEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-5-11(4,6-7-13)12-17(14,15)9-8-16-10(2)3/h10,12-13H,5-9H2,1-4H3.
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 106169938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).