N-butyl-N-ethylmethanesulfonamide

C7H17NO2S — CID 60643269

IUPACN-butyl-N-ethylmethanesulfonamide
SMILESCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-6-7-8(5-2)11(3,9)10/h4-7H2,1-3H3
InChIKeyWRRITKOTEHDDMZ-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.07
Rot. Bonds5

About N-butyl-N-ethylmethanesulfonamide

N-butyl-N-ethylmethanesulfonamide (PubChem CID 60643269) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-butyl-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethylmethanesulfonamide
PubChem CID60643269
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-butyl-N-ethylmethanesulfonamide
SMILESCCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-6-7-8(5-2)11(3,9)10/h4-7H2,1-3H3
InChIKeyWRRITKOTEHDDMZ-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethylmethanesulfonamide?
The IUPAC name of N-butyl-N-ethylmethanesulfonamide (CID 60643269) is N-butyl-N-ethylmethanesulfonamide.
What is the SMILES notation for N-butyl-N-ethylmethanesulfonamide?
The canonical SMILES for N-butyl-N-ethylmethanesulfonamide is CCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-ethylmethanesulfonamide?
The InChIKey is WRRITKOTEHDDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-6-7-8(5-2)11(3,9)10/h4-7H2,1-3H3.
What are the key properties of N-butyl-N-ethylmethanesulfonamide?
N-butyl-N-ethylmethanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylmethanesulfonamide is sourced from PubChem (CID 60643269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).