N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide

C9H21NO4S — CID 79593875

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C9H21NO4S/c1-8(2)14-5-6-15(12,13)10-9(3,4)7-11/h8,10-11H,5-7H2,1-4H3
InChIKeyJUMAMRCWAZXKOS-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.10
Rot. Bonds7

About N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593875) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79593875
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C9H21NO4S/c1-8(2)14-5-6-15(12,13)10-9(3,4)7-11/h8,10-11H,5-7H2,1-4H3
InChIKeyJUMAMRCWAZXKOS-UHFFFAOYSA-N
XLogP0.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594198
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
CID 104858720
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 106169938
2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594884
N-(1-hydroxy-2-methylpropan-2-yl)-3-methoxypropane-1-sulfonamide
CID 63289872
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
2-phenyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79592434
N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 104873870
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide (CID 79593875) is N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is JUMAMRCWAZXKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-8(2)14-5-6-15(12,13)10-9(3,4)7-11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).