N-but-3-enylmethanesulfonamide

C5H11NO2S — CID 24809305

IUPACN-but-3-enylmethanesulfonamide
SMILESC=CCCNS(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-3-4-5-6-9(2,7)8/h3,6H,1,4-5H2,2H3
InChIKeySMBMFFUZJARZKN-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.11
Rot. Bonds4

About N-but-3-enylmethanesulfonamide

N-but-3-enylmethanesulfonamide (PubChem CID 24809305) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-but-3-enylmethanesulfonamide.

Molecular Properties

Compound NameN-but-3-enylmethanesulfonamide
PubChem CID24809305
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-but-3-enylmethanesulfonamide
SMILESC=CCCNS(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-3-4-5-6-9(2,7)8/h3,6H,1,4-5H2,2H3
InChIKeySMBMFFUZJARZKN-UHFFFAOYSA-N
XLogP0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enylmethanesulfonamide?
The IUPAC name of N-but-3-enylmethanesulfonamide (CID 24809305) is N-but-3-enylmethanesulfonamide.
What is the SMILES notation for N-but-3-enylmethanesulfonamide?
The canonical SMILES for N-but-3-enylmethanesulfonamide is C=CCCNS(C)(=O)=O.
What is the InChIKey of N-but-3-enylmethanesulfonamide?
The InChIKey is SMBMFFUZJARZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-3-4-5-6-9(2,7)8/h3,6H,1,4-5H2,2H3.
What are the key properties of N-but-3-enylmethanesulfonamide?
N-but-3-enylmethanesulfonamide has a molecular weight of 149.22 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enylmethanesulfonamide is sourced from PubChem (CID 24809305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).