N-methylbuta-1,3-diene-2-sulfonamide

C5H9NO2S — CID 123975952

IUPACN-methylbuta-1,3-diene-2-sulfonamide
SMILESC=CC(=C)S(=O)(=O)NC
InChIInChI=1S/C5H9NO2S/c1-4-5(2)9(7,8)6-3/h4,6H,1-2H2,3H3
InChIKeyXSEFFXMJRUODIP-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.24
Rot. Bonds3

About N-methylbuta-1,3-diene-2-sulfonamide

N-methylbuta-1,3-diene-2-sulfonamide (PubChem CID 123975952) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is N-methylbuta-1,3-diene-2-sulfonamide.

Molecular Properties

Compound NameN-methylbuta-1,3-diene-2-sulfonamide
PubChem CID123975952
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC NameN-methylbuta-1,3-diene-2-sulfonamide
SMILESC=CC(=C)S(=O)(=O)NC
InChIInChI=1S/C5H9NO2S/c1-4-5(2)9(7,8)6-3/h4,6H,1-2H2,3H3
InChIKeyXSEFFXMJRUODIP-UHFFFAOYSA-N
XLogP0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylbuta-1,3-diene-2-sulfonamide?
The IUPAC name of N-methylbuta-1,3-diene-2-sulfonamide (CID 123975952) is N-methylbuta-1,3-diene-2-sulfonamide.
What is the SMILES notation for N-methylbuta-1,3-diene-2-sulfonamide?
The canonical SMILES for N-methylbuta-1,3-diene-2-sulfonamide is C=CC(=C)S(=O)(=O)NC.
What is the InChIKey of N-methylbuta-1,3-diene-2-sulfonamide?
The InChIKey is XSEFFXMJRUODIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-4-5(2)9(7,8)6-3/h4,6H,1-2H2,3H3.
What are the key properties of N-methylbuta-1,3-diene-2-sulfonamide?
N-methylbuta-1,3-diene-2-sulfonamide has a molecular weight of 147.20 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbuta-1,3-diene-2-sulfonamide is sourced from PubChem (CID 123975952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).