N-ethyl-N-pentylmethanesulfonamide

C8H19NO2S — CID 90181700

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

About N-ethyl-N-pentylmethanesulfonamide

N-ethyl-N-pentylmethanesulfonamide (PubChem CID 90181700) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-ethyl-N-pentylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-pentylmethanesulfonamide
PubChem CID90181700
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-ethyl-N-pentylmethanesulfonamide
SMILESCCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-6-7-8-9(5-2)12(3,10)11/h4-8H2,1-3H3
InChIKeyLYAJICLUKDATIT-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pentylmethanesulfonamide?
The IUPAC name of N-ethyl-N-pentylmethanesulfonamide (CID 90181700) is N-ethyl-N-pentylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-pentylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-pentylmethanesulfonamide is CCCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-pentylmethanesulfonamide?
The InChIKey is LYAJICLUKDATIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-6-7-8-9(5-2)12(3,10)11/h4-8H2,1-3H3.
What are the key properties of N-ethyl-N-pentylmethanesulfonamide?
N-ethyl-N-pentylmethanesulfonamide 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-ethyl-N-pentylmethanesulfonamide is sourced from PubChem (CID 90181700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).