N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide

C6H9NO2S — CID 89319221

IUPACN-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide
SMILESC#C/C=C(\C)NS(C)(=O)=O
InChIInChI=1S/C6H9NO2S/c1-4-5-6(2)7-10(3,8)9/h1,5,7H,2-3H3/b6-5+
InChIKeyNZBNVUIILQYPSF-AATRIKPKSA-N
MW159.21 g/mol
LogP0.07
Rot. Bonds2

About N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide

N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide (PubChem CID 89319221) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide
PubChem CID89319221
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC NameN-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide
SMILESC#C/C=C(\C)NS(C)(=O)=O
InChIInChI=1S/C6H9NO2S/c1-4-5-6(2)7-10(3,8)9/h1,5,7H,2-3H3/b6-5+
InChIKeyNZBNVUIILQYPSF-AATRIKPKSA-N
XLogP0.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide?
The IUPAC name of N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide (CID 89319221) is N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide?
The canonical SMILES for N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide is C#C/C=C(\C)NS(C)(=O)=O.
What is the InChIKey of N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide?
The InChIKey is NZBNVUIILQYPSF-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4-5-6(2)7-10(3,8)9/h1,5,7H,2-3H3/b6-5+.
What are the key properties of N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide?
N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide has a molecular weight of 159.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-2-en-4-yn-2-yl]methanesulfonamide is sourced from PubChem (CID 89319221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).