N-(5-methylhexyl)ethanesulfonamide

C9H21NO2S — CID 79002950

IUPACN-(5-methylhexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C9H21NO2S/c1-4-13(11,12)10-8-6-5-7-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyXAEVZXZYBHACOB-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds7

About N-(5-methylhexyl)ethanesulfonamide

N-(5-methylhexyl)ethanesulfonamide (PubChem CID 79002950) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(5-methylhexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-methylhexyl)ethanesulfonamide
PubChem CID79002950
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(5-methylhexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C9H21NO2S/c1-4-13(11,12)10-8-6-5-7-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyXAEVZXZYBHACOB-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexyl)methanesulfonamide
CID 58970685
6-methylheptylsulfamic acid
CID 87283481
N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide
CID 115715062
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943528
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111173843
2-(5-methylhexylsulfamoyl)propanoic acid
CID 115325022
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
CID 144745139
2-(7-methyloctylsulfamoyl)butanethioamide
CID 107815257
2-(5-methylhexylsulfamoyl)propanethioamide
CID 115325716

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)ethanesulfonamide?
The IUPAC name of N-(5-methylhexyl)ethanesulfonamide (CID 79002950) is N-(5-methylhexyl)ethanesulfonamide.
What is the SMILES notation for N-(5-methylhexyl)ethanesulfonamide?
The canonical SMILES for N-(5-methylhexyl)ethanesulfonamide is CCS(=O)(=O)NCCCCC(C)C.
What is the InChIKey of N-(5-methylhexyl)ethanesulfonamide?
The InChIKey is XAEVZXZYBHACOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-13(11,12)10-8-6-5-7-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(5-methylhexyl)ethanesulfonamide?
N-(5-methylhexyl)ethanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)ethanesulfonamide is sourced from PubChem (CID 79002950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).