N-butylethanesulfonamide

C6H15NO2S — CID 4644117

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

About N-butylethanesulfonamide

N-butylethanesulfonamide (PubChem CID 4644117) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-butylethanesulfonamide.

Molecular Properties

Compound NameN-butylethanesulfonamide
PubChem CID4644117
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-butylethanesulfonamide
SMILESCCCCNS(=O)(=O)CC
InChIInChI=1S/C6H15NO2S/c1-3-5-6-7-10(8,9)4-2/h7H,3-6H2,1-2H3
InChIKeyDQZAACNDQCRFPF-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

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-butylethanesulfonamide?
The IUPAC name of N-butylethanesulfonamide (CID 4644117) is N-butylethanesulfonamide.
What is the SMILES notation for N-butylethanesulfonamide?
The canonical SMILES for N-butylethanesulfonamide is CCCCNS(=O)(=O)CC.
What is the InChIKey of N-butylethanesulfonamide?
The InChIKey is DQZAACNDQCRFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-3-5-6-7-10(8,9)4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-butylethanesulfonamide?
N-butylethanesulfonamide 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-butylethanesulfonamide is sourced from PubChem (CID 4644117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).