N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide

C9H21NO5S2 — CID 103835338

IUPACN-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO5S2/c1-4-5-9(2,11)8-10-17(14,15)7-6-16(3,12)13/h10-11H,4-8H2,1-3H3
InChIKeyAIXKFOVXLFWKLE-UHFFFAOYSA-N
MW287.40 g/mol
LogP-0.50
Rot. Bonds8

About N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide

N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide (PubChem CID 103835338) has the molecular formula C9H21NO5S2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide
PubChem CID103835338
Molecular FormulaC9H21NO5S2
Molecular Weight287.40 g/mol
Exact Mass287.09
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO5S2/c1-4-5-9(2,11)8-10-17(14,15)7-6-16(3,12)13/h10-11H,4-8H2,1-3H3
InChIKeyAIXKFOVXLFWKLE-UHFFFAOYSA-N
XLogP-0.50
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(methylsulfamoylamino)pentan-2-ol
CID 106290478
3-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylpropane-1-sulfonamide
CID 106295329
N-(2-hydroxy-2,4-dimethylpentyl)propane-1-sulfonamide
CID 66178797
N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103684499
N-(2-hydroxy-2,4-dimethylpentyl)butane-1-sulfonamide
CID 66180381
methyl N-[(2-hydroxy-2-methylpentyl)sulfamoyl]carbamate
CID 106290429
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butane-1-sulfonamide
CID 90523075
N-(2-hydroxy-2-methylpentyl)-1-(2-nitrophenyl)methanesulfonamide
CID 104624312
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106290415
3-methyl-1-methylsulfonyloctan-3-ol
CID 80557919

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide (CID 103835338) is N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide is CCCC(C)(O)CNS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is AIXKFOVXLFWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO5S2/c1-4-5-9(2,11)8-10-17(14,15)7-6-16(3,12)13/h10-11H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide?
N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide has a molecular weight of 287.40 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 103835338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).