N-ethylbutane-1-sulfonamide

C6H15NO2S — CID 13343582

IUPACN-ethylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC
InChIInChI=1S/C6H15NO2S/c1-3-5-6-10(8,9)7-4-2/h7H,3-6H2,1-2H3
InChIKeyWPJAYGUQEOMPNV-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.73
Rot. Bonds5

About N-ethylbutane-1-sulfonamide

N-ethylbutane-1-sulfonamide (PubChem CID 13343582) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-ethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethylbutane-1-sulfonamide
PubChem CID13343582
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-ethylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC
InChIInChI=1S/C6H15NO2S/c1-3-5-6-10(8,9)7-4-2/h7H,3-6H2,1-2H3
InChIKeyWPJAYGUQEOMPNV-UHFFFAOYSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethylbutane-1-sulfonamide?
The IUPAC name of N-ethylbutane-1-sulfonamide (CID 13343582) is N-ethylbutane-1-sulfonamide.
What is the SMILES notation for N-ethylbutane-1-sulfonamide?
The canonical SMILES for N-ethylbutane-1-sulfonamide is CCCCS(=O)(=O)NCC.
What is the InChIKey of N-ethylbutane-1-sulfonamide?
The InChIKey is WPJAYGUQEOMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-3-5-6-10(8,9)7-4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-ethylbutane-1-sulfonamide?
N-ethylbutane-1-sulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbutane-1-sulfonamide is sourced from PubChem (CID 13343582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).