N-(3-methylidenecyclobutyl)methanesulfonamide

C6H11NO2S — CID 67119825

IUPACN-(3-methylidenecyclobutyl)methanesulfonamide
SMILESC=C1CC(NS(C)(=O)=O)C1
InChIInChI=1S/C6H11NO2S/c1-5-3-6(4-5)7-10(2,8)9/h6-7H,1,3-4H2,2H3
InChIKeyXTLSGIIZMFGMCP-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.25
Rot. Bonds2

About N-(3-methylidenecyclobutyl)methanesulfonamide

N-(3-methylidenecyclobutyl)methanesulfonamide (PubChem CID 67119825) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(3-methylidenecyclobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylidenecyclobutyl)methanesulfonamide
PubChem CID67119825
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-(3-methylidenecyclobutyl)methanesulfonamide
SMILESC=C1CC(NS(C)(=O)=O)C1
InChIInChI=1S/C6H11NO2S/c1-5-3-6(4-5)7-10(2,8)9/h6-7H,1,3-4H2,2H3
InChIKeyXTLSGIIZMFGMCP-UHFFFAOYSA-N
XLogP0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenecyclobutyl)methanesulfonamide?
The IUPAC name of N-(3-methylidenecyclobutyl)methanesulfonamide (CID 67119825) is N-(3-methylidenecyclobutyl)methanesulfonamide.
What is the SMILES notation for N-(3-methylidenecyclobutyl)methanesulfonamide?
The canonical SMILES for N-(3-methylidenecyclobutyl)methanesulfonamide is C=C1CC(NS(C)(=O)=O)C1.
What is the InChIKey of N-(3-methylidenecyclobutyl)methanesulfonamide?
The InChIKey is XTLSGIIZMFGMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5-3-6(4-5)7-10(2,8)9/h6-7H,1,3-4H2,2H3.
What are the key properties of N-(3-methylidenecyclobutyl)methanesulfonamide?
N-(3-methylidenecyclobutyl)methanesulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenecyclobutyl)methanesulfonamide is sourced from PubChem (CID 67119825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).