N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen

C9H23NO2S — CID 145277328

IUPACN-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen
SMILESCCCC[C@@H](CC)CNS(C)(=O)=O.[H][H]
InChIInChI=1S/C9H21NO2S.H2/c1-4-6-7-9(5-2)8-10-13(3,11)12;/h9-10H,4-8H2,1-3H3;1H/t9-;/m1./s1
InChIKeyQKUZPHQJJUHGPF-SBSPUUFOSA-N
MW209.35 g/mol
LogP2.00
Rot. Bonds7

About N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen

N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen (PubChem CID 145277328) has the molecular formula C9H23NO2S and a molecular weight of 209.35 g/mol. Its IUPAC name is N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen
PubChem CID145277328
Molecular FormulaC9H23NO2S
Molecular Weight209.35 g/mol
Exact Mass209.14
IUPAC NameN-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen
SMILESCCCC[C@@H](CC)CNS(C)(=O)=O.[H][H]
InChIInChI=1S/C9H21NO2S.H2/c1-4-6-7-9(5-2)8-10-13(3,11)12;/h9-10H,4-8H2,1-3H3;1H/t9-;/m1./s1
InChIKeyQKUZPHQJJUHGPF-SBSPUUFOSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)dodecane-1-sulfonamide
CID 20789895
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759
potassium;1,1-dicyano-N,N'-bis(2-ethylhexyl)methanedisulfonamide;hydride
CID 173197580
3-ethyl-1-(3-ethylheptylsulfonyl)heptane
CID 57030599
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
2-(2-ethylhexyl)-1,1-dimethylhydrazine
CID 83014664
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
3-(2-ethylhexylsulfamoyl)propanoic acid;2-(2-hydroxyethylamino)ethanol
CID 138402180
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen?
The IUPAC name of N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen (CID 145277328) is N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen.
What is the SMILES notation for N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen?
The canonical SMILES for N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen is CCCC[C@@H](CC)CNS(C)(=O)=O.[H][H].
What is the InChIKey of N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen?
The InChIKey is QKUZPHQJJUHGPF-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H21NO2S.H2/c1-4-6-7-9(5-2)8-10-13(3,11)12;/h9-10H,4-8H2,1-3H3;1H/t9-;/m1./s1.
What are the key properties of N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen?
N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen has a molecular weight of 209.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethylhexyl]methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 145277328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).