N-(3-cyclobutylpropyl)ethanesulfonamide

C9H19NO2S — CID 54221369

IUPACN-(3-cyclobutylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCC1CCC1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)10-8-4-7-9-5-3-6-9/h9-10H,2-8H2,1H3
InChIKeyQTKFGFVAPMKQKK-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.51
Rot. Bonds6

About N-(3-cyclobutylpropyl)ethanesulfonamide

N-(3-cyclobutylpropyl)ethanesulfonamide (PubChem CID 54221369) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(3-cyclobutylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclobutylpropyl)ethanesulfonamide
PubChem CID54221369
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(3-cyclobutylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCC1CCC1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)10-8-4-7-9-5-3-6-9/h9-10H,2-8H2,1H3
InChIKeyQTKFGFVAPMKQKK-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.51
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-(3-cyclobutylpropyl)ethanesulfonamide?
The IUPAC name of N-(3-cyclobutylpropyl)ethanesulfonamide (CID 54221369) is N-(3-cyclobutylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(3-cyclobutylpropyl)ethanesulfonamide?
The canonical SMILES for N-(3-cyclobutylpropyl)ethanesulfonamide is CCS(=O)(=O)NCCCC1CCC1.
What is the InChIKey of N-(3-cyclobutylpropyl)ethanesulfonamide?
The InChIKey is QTKFGFVAPMKQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-13(11,12)10-8-4-7-9-5-3-6-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(3-cyclobutylpropyl)ethanesulfonamide?
N-(3-cyclobutylpropyl)ethanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutylpropyl)ethanesulfonamide is sourced from PubChem (CID 54221369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).