N-methyl-N-pentylethanesulfonamide

C8H19NO2S — CID 64584394

IUPACN-methyl-N-pentylethanesulfonamide
SMILESCCCCCN(C)S(=O)(=O)CC
InChIInChI=1S/C8H19NO2S/c1-4-6-7-8-9(3)12(10,11)5-2/h4-8H2,1-3H3
InChIKeyLTTXETUVMWLRCB-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.46
Rot. Bonds6

About N-methyl-N-pentylethanesulfonamide

N-methyl-N-pentylethanesulfonamide (PubChem CID 64584394) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-methyl-N-pentylethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-pentylethanesulfonamide
PubChem CID64584394
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-methyl-N-pentylethanesulfonamide
SMILESCCCCCN(C)S(=O)(=O)CC
InChIInChI=1S/C8H19NO2S/c1-4-6-7-8-9(3)12(10,11)5-2/h4-8H2,1-3H3
InChIKeyLTTXETUVMWLRCB-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Octylsulfobetaine
CID 3084219
piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
Butyl piperidino sulfone
CID 261674
1-Propylsulfonylpiperidine
CID 303126
3-(Hexyldimethylammonio)propane-1-sulfonate
CID 12013370
1-Pentylsulfonylpiperidine
CID 303124
N,N-Dibutylethanesulfonamide
CID 303050
Methanesulfonamide, N,N-dihexyl-
CID 533126
Methylsulphonamide, N-ethyl-N-pentyl-
CID 90181700
Methylsulphonamide, N-ethyl-N-hexyl-
CID 91715472
Hexyl-dimethyl-(3-sulfopropyl)azanium
CID 12013371
N,N-diethylhexane-1-sulfonamide
CID 11253021

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentylethanesulfonamide?
The IUPAC name of N-methyl-N-pentylethanesulfonamide (CID 64584394) is N-methyl-N-pentylethanesulfonamide.
What is the SMILES notation for N-methyl-N-pentylethanesulfonamide?
The canonical SMILES for N-methyl-N-pentylethanesulfonamide is CCCCCN(C)S(=O)(=O)CC.
What is the InChIKey of N-methyl-N-pentylethanesulfonamide?
The InChIKey is LTTXETUVMWLRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-6-7-8-9(3)12(10,11)5-2/h4-8H2,1-3H3.
What are the key properties of N-methyl-N-pentylethanesulfonamide?
N-methyl-N-pentylethanesulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentylethanesulfonamide is sourced from PubChem (CID 64584394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).