N-butylcyclopropanesulfonamide

C7H15NO2S — CID 22499354

IUPACN-butylcyclopropanesulfonamide
SMILESCCCCNS(=O)(=O)C1CC1
InChIInChI=1S/C7H15NO2S/c1-2-3-6-8-11(9,10)7-4-5-7/h7-8H,2-6H2,1H3
InChIKeyPFKGMYHMKQXNBO-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.87
Rot. Bonds5

About N-butylcyclopropanesulfonamide

N-butylcyclopropanesulfonamide (PubChem CID 22499354) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-butylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-butylcyclopropanesulfonamide
PubChem CID22499354
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-butylcyclopropanesulfonamide
SMILESCCCCNS(=O)(=O)C1CC1
InChIInChI=1S/C7H15NO2S/c1-2-3-6-8-11(9,10)7-4-5-7/h7-8H,2-6H2,1H3
InChIKeyPFKGMYHMKQXNBO-UHFFFAOYSA-N
XLogP0.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.87
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-butylcyclopropanesulfonamide?
The IUPAC name of N-butylcyclopropanesulfonamide (CID 22499354) is N-butylcyclopropanesulfonamide.
What is the SMILES notation for N-butylcyclopropanesulfonamide?
The canonical SMILES for N-butylcyclopropanesulfonamide is CCCCNS(=O)(=O)C1CC1.
What is the InChIKey of N-butylcyclopropanesulfonamide?
The InChIKey is PFKGMYHMKQXNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-3-6-8-11(9,10)7-4-5-7/h7-8H,2-6H2,1H3.
What are the key properties of N-butylcyclopropanesulfonamide?
N-butylcyclopropanesulfonamide has a molecular weight of 177.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclopropanesulfonamide is sourced from PubChem (CID 22499354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).