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

C6H11NO2S — CID 123230058

IUPACN-methylpenta-1,3-diene-2-sulfonamide
SMILESC=C(C=CC)S(=O)(=O)NC
InChIInChI=1S/C6H11NO2S/c1-4-5-6(2)10(8,9)7-3/h4-5,7H,2H2,1,3H3
InChIKeyIZASXCAXYIQVGR-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.63
Rot. Bonds3

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

N-methylpenta-1,3-diene-2-sulfonamide (PubChem CID 123230058) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-methylpenta-1,3-diene-2-sulfonamide.

Molecular Properties

Compound NameN-methylpenta-1,3-diene-2-sulfonamide
PubChem CID123230058
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-methylpenta-1,3-diene-2-sulfonamide
SMILESC=C(C=CC)S(=O)(=O)NC
InChIInChI=1S/C6H11NO2S/c1-4-5-6(2)10(8,9)7-3/h4-5,7H,2H2,1,3H3
InChIKeyIZASXCAXYIQVGR-UHFFFAOYSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.63
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-methylpenta-1,3-diene-2-sulfonamide?
The IUPAC name of N-methylpenta-1,3-diene-2-sulfonamide (CID 123230058) is N-methylpenta-1,3-diene-2-sulfonamide.
What is the SMILES notation for N-methylpenta-1,3-diene-2-sulfonamide?
The canonical SMILES for N-methylpenta-1,3-diene-2-sulfonamide is C=C(C=CC)S(=O)(=O)NC.
What is the InChIKey of N-methylpenta-1,3-diene-2-sulfonamide?
The InChIKey is IZASXCAXYIQVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-5-6(2)10(8,9)7-3/h4-5,7H,2H2,1,3H3.
What are the key properties of N-methylpenta-1,3-diene-2-sulfonamide?
N-methylpenta-1,3-diene-2-sulfonamide has a molecular weight of 161.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpenta-1,3-diene-2-sulfonamide is sourced from PubChem (CID 123230058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).