N-methylbut-3-ene-1-sulfonamide

C5H11NO2S — CID 57167241

IUPACN-methylbut-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NC
InChIInChI=1S/C5H11NO2S/c1-3-4-5-9(7,8)6-2/h3,6H,1,4-5H2,2H3
InChIKeyMSRWGRBWFCRVFF-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.11
Rot. Bonds4

About N-methylbut-3-ene-1-sulfonamide

N-methylbut-3-ene-1-sulfonamide (PubChem CID 57167241) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is N-methylbut-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-methylbut-3-ene-1-sulfonamide
PubChem CID57167241
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC NameN-methylbut-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NC
InChIInChI=1S/C5H11NO2S/c1-3-4-5-9(7,8)6-2/h3,6H,1,4-5H2,2H3
InChIKeyMSRWGRBWFCRVFF-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 ≤ 500149.21
LogP ≤ 50.11
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-methylbut-3-ene-1-sulfonamide?
The IUPAC name of N-methylbut-3-ene-1-sulfonamide (CID 57167241) is N-methylbut-3-ene-1-sulfonamide.
What is the SMILES notation for N-methylbut-3-ene-1-sulfonamide?
The canonical SMILES for N-methylbut-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NC.
What is the InChIKey of N-methylbut-3-ene-1-sulfonamide?
The InChIKey is MSRWGRBWFCRVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-3-4-5-9(7,8)6-2/h3,6H,1,4-5H2,2H3.
What are the key properties of N-methylbut-3-ene-1-sulfonamide?
N-methylbut-3-ene-1-sulfonamide has a molecular weight of 149.21 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-methylbut-3-ene-1-sulfonamide is sourced from PubChem (CID 57167241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).