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

C8H21NO2S — CID 145277308

IUPACN-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen
SMILESCCCC[C@@H](C)CNS(C)(=O)=O.[H][H]
InChIInChI=1S/C8H19NO2S.H2/c1-4-5-6-8(2)7-9-12(3,10)11;/h8-9H,4-7H2,1-3H3;1H/t8-;/m1./s1
InChIKeyOXNPXUAMRQFTRT-DDWIOCJRSA-N
MW195.33 g/mol
LogP1.61
Rot. Bonds6

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

N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen (PubChem CID 145277308) has the molecular formula C8H21NO2S and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen
PubChem CID145277308
Molecular FormulaC8H21NO2S
Molecular Weight195.33 g/mol
Exact Mass195.13
IUPAC NameN-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen
SMILESCCCC[C@@H](C)CNS(C)(=O)=O.[H][H]
InChIInChI=1S/C8H19NO2S.H2/c1-4-5-6-8(2)7-9-12(3,10)11;/h8-9H,4-7H2,1-3H3;1H/t8-;/m1./s1
InChIKeyOXNPXUAMRQFTRT-DDWIOCJRSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-dodecylmethanesulfonamide
CID 4079648
N-[(2S)-2-amino-4-methylpentyl]methanesulfonamide
CID 127043189
n-Octylmethanesulfonamide
CID 272262
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
N-(6-fluoro-6-methylheptyl)methanesulfonamide
CID 91482416
n-Hexylmethanesulfonamide
CID 572524
N-heptylmethanesulfonamide
CID 4657022
N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106116380
N-[(2-fluorocyclohexyl)methyl]methanesulfonamide
CID 162206415
N-(5-methylhexan-2-yl)propane-2-sulfonamide
CID 61361229

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen?
The IUPAC name of N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen (CID 145277308) is N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen.
What is the SMILES notation for N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen?
The canonical SMILES for N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen is CCCC[C@@H](C)CNS(C)(=O)=O.[H][H].
What is the InChIKey of N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen?
The InChIKey is OXNPXUAMRQFTRT-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H19NO2S.H2/c1-4-5-6-8(2)7-9-12(3,10)11;/h8-9H,4-7H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen?
N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen has a molecular weight of 195.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methylhexyl]methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 145277308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).